2-[5-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydrobenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium inner salt sodium salt supplier

Name
NK 1841 (dye)
EINECS
CAS No. 64285-36-5
Density g/cm³
Solubility
Melting Point
Formula C₄₁H₄₅ N₂O₆ S₂ . Na
Boiling Point °Cat760mmHg
Molecular Weight 748.9256
Flash Point °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benz[e]indolium,2-[5-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3-pentadienyl]-1,1-dimethyl-3-(4-sulfobutyl)-,inner salt, sodium salt (9CI);NK 1841;
PSA 137.41000
LogP 9.99950

2-[5-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydrobenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium inner salt sodium salt Specification

The 2-[5-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydrobenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium inner salt sodium salt , with the CAS register number 64285-36-5, has the IUPAC name which is sodium 4-[(2E)-2-[(2E,4E)-5-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate . And it is also known to us as 1H-Benz[e]indolium,2-[5-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3-pentadienyl]-1,1-dimethyl-3-(4-sulfobutyl)-,inner salt, sodium salt (9CI) , NK 1841 , and so on.

Properties of this kind of chemical are as follows: (1)#H bond acceptors: 8 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 13 ; (4)Polar Surface Area: 131.75.

In addition, you could refer and convert the following data information into molecular structure:
SMILES:
[Na+].[O-]S(=O)(=O)CCCC[N+]=3c2ccc1c(cccc1)c2C(C=3\C=C\C=C\C=C6\N(c5ccc4ccccc4c5C6(C)C)CCCCS([O-])(=O)=O)(C)C
InChI:
InChI=1/C41H46N2O6S2.Na/c1-40(2)36(42(26-12-14-28-50(44,45)46)34-24-22-30-16-8-10-18-32(30)38(34)40)20-6-5-7-21-37-41(3,4)39-33-19-11-9-17-31(33)23-25-35(39)43(37)27-13-15-29-51(47,48)49;/h5-11,16-25H,12-15,26-29H2,1-4H3,(H-,44,45,46,47,48,49);/q;+1/p-1

Product Name

NK 1841 (dye)

2-[5-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydrobenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium inner salt sodium salt Specification

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