Benzoic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, sodium salt

83221-74-3

CAS Name

Benzoic acid, 4-[2-[1-hydroxy-6-[[[[5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:?)

Molecular Formula

C₃₄H₂₄N₆O₁₁S₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C34H24N6O11S2.Na/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);

InChIKey

InChIKey=RBELIWZKNXWGET-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=CC=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=NC=6C=CC=CC6)=C(C=C5C4)S(=O)(=O)O)C=C1

Other Names for this Substance