Product Name: 2-(4''-Chlor-4'-stilbyl)naftotriazol-6,2',2''-trisulfonan sodny (CAS NO.73926-94-0)
Molecular Formula: C24H13ClN3Na3O9S3
Molecular Weight: 687.992g/mol
Mol File: 73926-94-0.mol
H-Bond Donor: 0
H-Bond Acceptor: 11
Structure Descriptors of 2-(4''-Chlor-4'-stilbyl)naftotriazol-6,2',2''-trisulfonan sodny (CAS NO.73926-94-0):
IUPAC Name: Trisodium2-[4-[(E)-2-(4-chloro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-6-sulfonate
Canonical SMILES: C1=CC2=C(C=CC3=NN(N=C23)C4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Isomeric SMILES: C1=CC2=C(C=CC3=NN(N=C23)C4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)Cl)S(=O)(=O)[O-
])S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI: InChI=1S/C24H16ClN3O9S3.3Na/c25-16-8-6-14(22(12-16)39(32,33)34)4-5-15-7-9-17(13-23(15)40(35,
36)37)28-26-20-11-10-18-19(24(20)27-28)2-1-3-21(18)38(29,30)31;;;/h1-13H,(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3/b5-4+;;;
InChIKey: ANMKIBAWPBJIGN-WVFFXBQBSA-K
1. | eye-rbt 5 mg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,250. | ||
2. | orl-rat LD50:19,900 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,250. |
Mildly toxic by ingestion. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl−, NOx, Na2O, and SOx.
2-(4''-Chlor-4'-stilbyl)naftotriazol-6,2',2''-trisulfonan sodny , its CAS NO. is 73926-94-0, the synonym is 2,2'-Stilbenedisulfonic acid, 4-chloro-4'-(6-sulfo-2H-naphtho(1,2-d)triazol-2-yl)-, trisodium salt .
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