CAS Registry Number®
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 2,2′-iminobis[ethanol] (1:4)
Molecular Formula
C35H26N6O14S3.4C4H11NO2
Molecular Mass
1271.36
Other Names and Identifiers
InChI
InChI=1S/C35H26N6O14S3.C4H11NO2/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;6-3-1-5-2-4-7/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);5-7H,1-4H2
InChIKey
InChIKey=GARFALDJNRVZCF-UHFFFAOYSA-N
Canonical SMILES
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.OCCNCCO
Other Names for this Substance
- 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 2,2′-iminobis[ethanol] (1:4)
- 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]-, compd. with 2,2′-iminobis[ethanol] (1:4)
- Ethanol, 2,2′-iminobis-, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]benzoate (4:1) (salt)

