Product Name

  • Name

    Lissamine rhodamine B sulfonyl chloride

  • EINECS 263-735-8
  • CAS No. 62796-29-6
  • Article Data6
  • CAS DataBase
  • Density 1.1576 (rough estimate)
  • Solubility
  • Melting Point
  • Formula C27H29ClN2O6S2
  • Boiling Point
  • Molecular Weight 577.122
  • Flash Point
  • Transport Information
  • Appearance dark green crystalline powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 62796-29-6 (Lissamine rhodamine B sulfonyl chloride)
  • Hazard Symbols IrritantXi
  • Synonyms Xanthylium,9-[4-(chlorosulfonyl)-2-sulfophenyl]-3,6-bis(diethylamino)-, hydroxide, innersalt;[9-[4-(Chlorosulfonyl)-2-sulfophenyl]-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammoniumhydroxide, inner salt (7CI);
  • PSA 127.49000
  • LogP 6.85600

Synthetic route

Lissamine rhodamine B

Lissamine rhodamine B

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

Conditions
ConditionsYield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃;100%
sulforhodamine B
3520-42-1

sulforhodamine B

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

Conditions
ConditionsYield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 16h;88%
With oxalyl dichloride
With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 3.5h;
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 22h; Inert atmosphere;
C29H34N2O7S2*Na(1+)

C29H34N2O7S2*Na(1+)

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

Conditions
ConditionsYield
With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 16h;88%
1-amino-4-[(tert-butyloxycarbonyl)amino]butane
68076-36-8

1-amino-4-[(tert-butyloxycarbonyl)amino]butane

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

(N-(4-(tert-butoxycarbonylamino)butyl)sulfamoyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzenesulfonate

(N-(4-(tert-butoxycarbonylamino)butyl)sulfamoyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzenesulfonate

Conditions
ConditionsYield
With TEA In chloroform at 25℃; for 8h; Inert atmosphere;95%
6-amino-2-(amido-{1,4,7,10-tetraazacyclododec-1-yl}-acetic acid) hexa-amido-N,N-dioctadecylacetamide
1207191-71-6

6-amino-2-(amido-{1,4,7,10-tetraazacyclododec-1-yl}-acetic acid) hexa-amido-N,N-dioctadecylacetamide

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

6-Rhodamine-sulfonamide-2-(amido-(1,4,7,10-tetraazacyclododec-1-yl)-acetic acid) hexa-amido-N,N-dioctadecylacetamide
1207191-73-8

6-Rhodamine-sulfonamide-2-(amido-(1,4,7,10-tetraazacyclododec-1-yl)-acetic acid) hexa-amido-N,N-dioctadecylacetamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; Inert atmosphere;82%
δ-aminovaleric acid tert-butyl ester
63984-03-2

δ-aminovaleric acid tert-butyl ester

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

5-(N-(4-carboxybutyl)sulfamoyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl) benzenesulfonate
1384054-45-8

5-(N-(4-carboxybutyl)sulfamoyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl) benzenesulfonate

Conditions
ConditionsYield
Stage #1: δ-aminovaleric acid tert-butyl ester; rhodamine B sulfonyl chloride With dmap; N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide at 0℃; for 0.5h;
Stage #2: With trifluoroacetic acid In dichloromethane; water at 20℃; for 3h;		82%
ethylenediamine
107-15-3

ethylenediamine

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

5-(N-(2-aminoethyl)sulfamoyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzenesulfonate
226086-98-2

5-(N-(2-aminoethyl)sulfamoyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzenesulfonate

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 20℃; for 13h;81%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 17h; Inert atmosphere;81%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;81%
C33H40F6N4O4

C33H40F6N4O4

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

(S,E)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)-5-(N-(5-(ethyl(2-(2-(3-oxotetrahydro-1H,3H-pyrrolo[1,2-c]oxazol-1-ylidene)-N-((2′-(2,2,2-trifluoroethoxy)-4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)methyl)acetamido)ethyl)amino)pentyl)sulfamoyl)benzenesulfonate

(S,E)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)-5-(N-(5-(ethyl(2-(2-(3-oxotetrahydro-1H,3H-pyrrolo[1,2-c]oxazol-1-ylidene)-N-((2′-(2,2,2-trifluoroethoxy)-4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)methyl)acetamido)ethyl)amino)pentyl)sulfamoyl)benzenesulfonate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25℃; for 16h;81%
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; Darkness;81%
N1-(3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)-N5-(6-(6-(pyridin-2-yl)-1,2,4,5-tetrazin-3-yl)pyridin-3-yl)glutaramide
1345668-08-7

N1-(3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)-N5-(6-(6-(pyridin-2-yl)-1,2,4,5-tetrazin-3-yl)pyridin-3-yl)glutaramide

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

C54H65N11O11S2
1345668-04-3

C54H65N11O11S2

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 12h; Inert atmosphere;78%
rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

1-(11-undecyldecylthio)amine

1-(11-undecyldecylthio)amine

C48H73N3O6S3

C48H73N3O6S3

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃;74.9%
N-BOC-1,2-diaminoethane
57260-73-8

N-BOC-1,2-diaminoethane

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

5-(N-(2-((tert-butoxycarbonyl)amino)ethyl)sulfamoyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzenesulfonate

5-(N-(2-((tert-butoxycarbonyl)amino)ethyl)sulfamoyl)-2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzenesulfonate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 1h;74%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;50%
With triethylamine In ethanol at 20℃; Inert atmosphere;41%
With triethylamine In N,N-dimethyl-formamide at 25℃; Inert atmosphere;
L-Alanine methyl ester
10065-72-2

L-Alanine methyl ester

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

C31H37N3O8S2

C31H37N3O8S2

Conditions
ConditionsYield
With caesium carbonate In acetonitrile at 0 - 20℃; for 32.5h; Inert atmosphere;72%
3,6,9,12,15,18,21,24-octaoxaheptacos-26-yn-1-amine
1196732-52-1

3,6,9,12,15,18,21,24-octaoxaheptacos-26-yn-1-amine

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

C46H65N3O14S2
1422541-07-8

C46H65N3O14S2

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃; for 15h; Inert atmosphere;71%
2-Isocyanatoethyl methacrylate
30674-80-7

2-Isocyanatoethyl methacrylate

ethanolamine
141-43-5

ethanolamine

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

C35H42N4O10S2

C35H42N4O10S2

Conditions
ConditionsYield
Stage #1: ethanolamine; rhodamine B sulfonyl chloride With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;
Stage #2: 2-Isocyanatoethyl methacrylate With dibutyltin(II) dilaurate In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;		70%
...Expand
acrylic acid 2-isocyanatoethyl ester
13641-96-8

acrylic acid 2-isocyanatoethyl ester

ethanolamine
141-43-5

ethanolamine

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

C35H42N4O10S2

C35H42N4O10S2

Conditions
ConditionsYield
Stage #1: ethanolamine; rhodamine B sulfonyl chloride With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;
Stage #2: acrylic acid 2-isocyanatoethyl ester With dibutyltin dilaurate In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;		70%
...Expand
serinol
534-03-2

serinol

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

C30H37N3O8S2

C30H37N3O8S2

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;69%
In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;69%
2-aminoethylmethacrylate hydrochloride

2-aminoethylmethacrylate hydrochloride

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

C33H39N3O8S2
178623-75-1

C33H39N3O8S2

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 20℃; for 13h;67%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;67%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;
rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

N-(3-aminopropyl)methacrylamide hydrochloride

N-(3-aminopropyl)methacrylamide hydrochloride

C34H42N4O7S2

C34H42N4O7S2

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 13h;65%
ethanolamine
141-43-5

ethanolamine

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

<2-Hydroxy-aethyl-amid> des Sulforhodamin B
104880-10-6

<2-Hydroxy-aethyl-amid> des Sulforhodamin B

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;65%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;65%
methyl 6-aminocaproate hydrochloride
1926-80-3

methyl 6-aminocaproate hydrochloride

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

C34H43N3O8S2
216974-96-8

C34H43N3O8S2

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In chloroform at 20℃;64%
2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)ethoxy)ethanamine
932741-19-0

2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)ethoxy)ethanamine

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)-5-(N-(2-(2-(2-(prop-2-yn-1-yl oxy)ethoxy)ethoxy)ethyl)sulfamoyl)benzenesulfonate
1609374-67-5

2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)-5-(N-(2-(2-(2-(prop-2-yn-1-yl oxy)ethoxy)ethoxy)ethyl)sulfamoyl)benzenesulfonate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; N,N-dimethyl-formamide at 0 - 20℃;63%
rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

Methacryloyl chloride
920-46-7

Methacryloyl chloride

2-(2-Aminoethoxy)ethanol
929-06-6

2-(2-Aminoethoxy)ethanol

C35H43N3O9S2

C35H43N3O9S2

Conditions
ConditionsYield
Stage #1: rhodamine B sulfonyl chloride; 2-(2-Aminoethoxy)ethanol With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;
Stage #2: Methacryloyl chloride With triethylamine In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;		63%
Stage #1: rhodamine B sulfonyl chloride; 2-(2-Aminoethoxy)ethanol With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;
Stage #2: Methacryloyl chloride With triethylamine In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;		62%
...Expand
trans-4-hydroxycyclohexylamine
27489-62-9

trans-4-hydroxycyclohexylamine

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

Methacryloyl chloride
920-46-7

Methacryloyl chloride

C37H45N3O8S2

C37H45N3O8S2

Conditions
ConditionsYield
Stage #1: trans-4-hydroxycyclohexylamine; rhodamine B sulfonyl chloride With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;
Stage #2: Methacryloyl chloride With triethylamine In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;		63%
...Expand
rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

Methacryloyl chloride
920-46-7

Methacryloyl chloride

trans-4-aminocyclohexan-1-ol
27489-62-9

trans-4-aminocyclohexan-1-ol

C37H45N3O8S2

C37H45N3O8S2

Conditions
ConditionsYield
Stage #1: rhodamine B sulfonyl chloride; trans-4-aminocyclohexan-1-ol With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere;
Stage #2: Methacryloyl chloride With triethylamine In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;		63%
...Expand
N-(4-(5-amino-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)phenyl)-[1,1′-biphenyl]-2-carboxamide
1384054-34-5

N-(4-(5-amino-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)phenyl)-[1,1′-biphenyl]-2-carboxamide

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

5-(N-(1-(4-([1,1′-biphenyl]-2-ylcarboxamido)benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)sulfamoyl)-2-(6-(diethylamino)-3-(di ethyliminio)-3H-xanthen-9-yl )-benzenesulfonate

5-(N-(1-(4-([1,1′-biphenyl]-2-ylcarboxamido)benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)sulfamoyl)-2-(6-(diethylamino)-3-(di ethyliminio)-3H-xanthen-9-yl )-benzenesulfonate

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 1h;62%
C14H19F5N2O5S

C14H19F5N2O5S

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)-5-(N-(2-(2-(2-(2-((pentafluorophenyl)sulfonamido)ethoxy)ethoxy)ethoxy)ethyl)sulfamoyl)benzene sulfonate

2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)-5-(N-(2-(2-(2-(2-((pentafluorophenyl)sulfonamido)ethoxy)ethoxy)ethoxy)ethyl)sulfamoyl)benzene sulfonate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h;60%
N-(3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)-4-(3-tosyl-2-(tosylmethyl)propanoyl)benzamide
1528459-54-2

N-(3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)-4-(3-tosyl-2-(tosylmethyl)propanoyl)benzamide

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

C62H74N4O15S4
1528459-57-5

C62H74N4O15S4

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃;57%
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;45%
prop-2-yn-1-amine hydrochloride
15430-52-1

prop-2-yn-1-amine hydrochloride

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

N-propynyl sulforhodamine B
1092380-67-0

N-propynyl sulforhodamine B

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;55%
2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethylamine
134179-38-7

2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethylamine

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

2-(2-(2-(2-(4-(3,6-bis(diethylamino)xanthylium-9-yl)-3-sulfonatobenzenesulfonamido)ethoxy)ethoxy)ethoxy)ethyl azide
1061632-48-1

2-(2-(2-(2-(4-(3,6-bis(diethylamino)xanthylium-9-yl)-3-sulfonatobenzenesulfonamido)ethoxy)ethoxy)ethoxy)ethyl azide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 22h; Inert atmosphere;53.4%
Stage #1: rhodamine B sulfonyl chloride With pyridine Inert atmosphere;
Stage #2: 2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethylamine for 72h; Inert atmosphere;		30%
3,6-dioxa-1,8-diaminooctane
929-59-9

3,6-dioxa-1,8-diaminooctane

rhodamine B sulfonyl chloride
62796-29-6

rhodamine B sulfonyl chloride

2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)-5-(N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)sulfamoyl)benzenesulfonate

2-(6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)-5-(N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)sulfamoyl)benzenesulfonate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 0 - 20℃; for 0.25h;51%

Lissamine rhodamine B sulfonyl chloride Specification

The Lissamine rhodamine B sulfonyl chloride, with the CAS registry number 62796-29-6, is also known as Xanthylium, 9-[4-(chlorosulfonyl)-2-sulfophenyl]-3, 6-bis(diethylamino)-, hydroxide, innersalt. It belongs to the product category of Organics. Its EINECS registry number is 263-735-8. This chemical's molecular formula is C27H29ClN2O6S2 and molecular weight is 577.11. What's more, its IUPAC name is 5-Chlorosulfonyl-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzenesulfonate. In addition, it must be stored in airtight containers and placed in a dry, cool place at -20 °C.

Physical properties about Lissamine rhodamine B sulfonyl chloride are: (1)XLogP3-AA: 3.5; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 7; (4)Rotatable Bond Count: 7; (5)Exact Mass: 576.115556; (6)MonoIsotopic Mass: 576.115556; (7)Topological Polar Surface Area: 124; (8)Heavy Atom Count: 38; (9)Formal Charge: 0; (10)Complexity: 1170; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

Uses of Lissamine rhodamine B sulfonyl chloride: it is used to produce other chemicals. For example, it is used to produce N-[1-Sulfonyl-6-(3, 6-diethylamino-xanthenyl)-3-sulfonamidophenyl]-3-oxapentane-1, 5-dioxyamine at ambient temperature. The reaction needs solvent CH2Cl2. The reaction time is 1 hour. The yield is about 32 %.

Lissamine rhodamine B sulfonyl chloride can react with O-[2-(2-Aminooxy-ethoxy)-ethyl]-hydroxylamine to get N-[1-Sulfonyl-6-(3, 6-diethylamino-xanthenyl)-3-sulfonamidophenyl]-3-oxapentane-1, 5-dioxyamine.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: ClS(=O)(=O)c4ccc(C=1c3c(OC=2C=1\C=C/C(=[N+](/CC)CC)/C=2)cc(cc3)N(CC)CC)c(c4)S([O-])(=O)=O
(2) InChI: InChI=1/C27H29ClN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(28,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3
(3) InChIKey: YERWMQJEYUIJBO-UHFFFAOYAZ

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