Ethanol, 2,2′-iminobis-, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonate] (2:1) (salt), disodium salt

85169-16-0

CAS Name

2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt, compd. with 2,2′-iminobis[ethanol] (1:2)

Molecular Formula

C₃₇H₃₂N₆O₁₇S₄.2C₄H₁₁NO₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C37H32N6O17S4.C4H11NO2.Na/c1-17-9-25(27(59-3)15-29(17)61(47,48)49)40-42-33-31(63(53,54)55)13-19-11-21(5-7-23(19)35(33)44)38-37(46)39-22-6-8-24-20(12-22)14-32(64(56,57)58)34(36(24)45)43-41-26-10-18(2)30(62(50,51)52)16-28(26)60-4;6-3-1-5-2-4-7;/h5-16,44-45H,1-4H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);5-7H,1-4H2;

InChIKey

InChIKey=OZHMRJUYXRCOAS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

[Na].O=C(NC=1C=CC2=C(O)C(N=NC=3C=C(C(=CC3OC)S(=O)(=O)O)C)=C(C=C2C1)S(=O)(=O)O)NC=4C=CC5=C(O)C(N=NC=6C=C(C(=CC6OC)S(=O)(=O)O)C)=C(C=C5C4)S(=O)(=O)O.OCCNCCO

Other Names for this Substance