Benzoic acid, 2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(1-sulfo-2-naphthalenyl)azo]-1-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, sodium salt

85098-62-0

CAS Name

Benzoic acid, 2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[2-(1-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, sodium salt (1:?)

Molecular Formula

C₃₀H₂₀ClN₇O₁₅S₄.xNa

Other Names and Identifiers

InChI

InChI=1S/C30H20ClN7O15S4.Na/c31-28-34-29(32-19-8-6-15(54(42,43)44)11-18(19)27(40)41)36-30(35-28)33-21-12-16(55(45,46)47)9-14-10-22(56(48,49)50)24(25(39)23(14)21)38-37-20-7-5-13-3-1-2-4-17(13)26(20)57(51,52)53;/h1-12,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,32,33,34,35,36);

InChIKey

InChIKey=LOWGWQQRUUVLRZ-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=C(S(=O)(=O)O)C4=C(C=C3)C=CC=C4)=C2O)C=C(S(=O)(=O)O)C1)C=5N=C(NC6=C(C(O)=O)C=C(S(=O)(=O)O)C=C6)N=C(Cl)N5.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC(=CC=C1NC2=NC(Cl)=NC(=N2)NC3=CC(=CC=4C=C(C(N=NC=5C=CC=6C=CC=CC6C5S(=O)(=O)O)=C(O)C43)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance