Benzoic acid, 2-[2-[8-[[4-chloro-6-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)
CAS Registry Number®
70209-93-7
CAS Name
Benzoic acid, 2-[2-[8-[[4-chloro-6-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)Molecular Formula
C34H23ClN8O12S4.4NaCite this Page
Benzoic acid, 2-[2-[8-[[4-chloro-6-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=70209-93-7 (retrieved ) (CAS RN: 70209-93-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C34H23ClN8O12S4.4Na/c1-15-6-11-22-28(29(15)59(53,54)55)56-30(37-22)16-7-9-18(10-8-16)36-33-39-32(35)40-34(41-33)38-23-14-19(57(47,48)49)12-17-13-24(58(50,51)52)26(27(44)25(17)23)43-42-21-5-3-2-4-20(21)31(45)46;;;;/h2-14,44H,1H3,(H,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,36,38,39,40,41);;;;
InChIKey
InChIKey=OLMUUZDLENJWLL-UHFFFAOYSA-N
SMILES
N(C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(C(O)=O)C=CC=C3)=C2O)C=C(S(=O)(=O)O)C1)C=4N=C(NC5=CC=C(C=C5)C=6SC=7C(N6)=CC=C(C)C7S(=O)(=O)O)N=C(Cl)N4.[Na]
Canonical SMILES
[Na].O=C(O)C=1C=CC=CC1N=NC2=C(O)C3=C(C=C(C=C3NC=4N=C(Cl)N=C(N4)NC5=CC=C(C=C5)C6=NC=7C=CC(=C(C7S6)S(=O)(=O)O)C)S(=O)(=O)O)C=C2S(=O)(=O)O
Other Names for this Substance
- Benzoic acid, 2-[2-[8-[[4-chloro-6-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)
- Benzoic acid, 2-[[8-[[4-chloro-6-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt
