Ethanol, 2,2′-(methylimino)bis-, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-[(2-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonate] (salt), sodium salt

83763-81-9

CAS Name

2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-[(2-methyl-4-sulfophenyl)azo]-, sodium salt, compd. with 2,2′-(methylimino)bis[ethanol]

Molecular Formula

C₃₅H₂₈N₆O₁₅S₄.xC₅H₁₃NO₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C35H28N6O15S4.C5H13NO2.Na/c1-17-11-23(57(45,46)47)5-9-27(17)38-40-31-29(59(51,52)53)15-19-13-21(3-7-25(19)33(31)42)36-35(44)37-22-4-8-26-20(14-22)16-30(60(54,55)56)32(34(26)43)41-39-28-10-6-24(12-18(28)2)58(48,49)50;1-6(2-4-7)3-5-8;/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);7-8H,2-5H2,1H3;

InChIKey

InChIKey=AESLSRBNNWRYCY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

[Na].O=C(NC=1C=CC2=C(O)C(N=NC3=CC=C(C=C3C)S(=O)(=O)O)=C(C=C2C1)S(=O)(=O)O)NC=4C=CC5=C(O)C(N=NC6=CC=C(C=C6C)S(=O)(=O)O)=C(C=C5C4)S(=O)(=O)O.OCCN(C)CCO

Other Names for this Substance