Benzoic acid, 4,4′-[carbonylbis[imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, sodium salt

83221-73-2

CAS Name

Benzoic acid, 4,4′-[carbonylbis[imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo]]bis-, sodium salt

Molecular Formula

C₃₅H₂₄N₆O₁₃S₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C35H24N6O13S2.Na/c42-31-25-11-9-23(13-19(25)15-27(55(49,50)51)29(31)40-38-21-5-1-17(2-6-21)33(44)45)36-35(48)37-24-10-12-26-20(14-24)16-28(56(52,53)54)30(32(26)43)41-39-22-7-3-18(4-8-22)34(46)47;/h1-16,42-43H,(H,44,45)(H,46,47)(H2,36,37,48)(H,49,50,51)(H,52,53,54);

InChIKey

InChIKey=DLCUNWHAERGSIY-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=CC=C(C(O)=O)C=C3)C=C(NC(NC4=CC5=C(C=C4)C(O)=C(N=NC6=CC=C(C(O)=O)C=C6)C(S(=O)(=O)O)=C5)=O)C=C2.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)O)NC(=O)NC=4C=CC5=C(O)C(N=NC6=CC=C(C=C6)C(=O)O)=C(C=C5C4)S(=O)(=O)O)C=C1

Other Names for this Substance