Ethanol, 2,2′-(methylimino)bis-, 3,3′-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bis[1,5-naphthalenedisulfonate] (salt), sodium salt

83763-73-9

CAS Name

1,5-Naphthalenedisulfonic acid, 3,3′-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bis-, sodium salt, compd. with 2,2′-(methylimino)bis[ethanol]

Molecular Formula

C₃₅H₂₈N₆O₁₃S₄.xC₅H₁₃NO₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C35H28N6O13S4.C5H13NO2.Na/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48;1-6(2-4-7)3-5-8;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);7-8H,2-5H2,1H3;

InChIKey

InChIKey=LFAOUJUKHWXXQX-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C(S(=O)(=O)O)=CC=C2)C=C(N=NC3=C(C)C=C(NC(NC4=CC(C)=C(N=NC5=CC6=C(C(S(=O)(=O)O)=C5)C=CC=C6S(=O)(=O)O)C=C4)=O)C=C3)C1.N(CCO)(CCO)C.[Na]

Canonical SMILES

[Na].O=C(NC1=CC=C(N=NC=2C=C3C(C=CC=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)C(=C1)C)NC4=CC=C(N=NC=5C=C6C(C=CC=C6S(=O)(=O)O)=C(C5)S(=O)(=O)O)C(=C4)C.OCCN(C)CCO

Other Names for this Substance