Benzoic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, sodium salt, compd. with 2-aminoethanol

CAS Name

Benzoic acid, 4-[2-[1-hydroxy-6-[[[[5-hydroxy-6-[2-(2-methyl-4-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-, compd. with 2-aminoethanol, sodium salt (1:?:?)

Molecular Formula

C₃₅H₂₆N₆O₁₄S₃.xC₂H₇NO.xNa

Other Names and Identifiers

InChI

InChI=1S/C35H26N6O14S3.C2H7NO.Na/c1-17-12-24(56(47,48)49)8-11-27(17)39-41-31-29(58(53,54)55)16-20-14-23(7-10-26(20)33(31)43)37-35(46)36-22-6-9-25-19(13-22)15-28(57(50,51)52)30(32(25)42)40-38-21-4-2-18(3-5-21)34(44)45;3-1-2-4;/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);4H,1-3H2;

InChIKey

InChIKey=BVZDLEFNGYXNEX-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=CC=C(C(O)=O)C=C6)C(S(=O)(=O)O)=C5)=O)C=C2.C(CO)N.[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=C6C)S(=O)(=O)O)=C(C=C5C4)S(=O)(=O)O)C=C1.OCCN

Other Names for this Substance