2,7-Naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(phenylamino)-3-sulfophenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-, trisodium salt

85631-82-9

CAS Name

2,7-Naphthalenedisulfonic acid, 5-[2-[2,4-dihydroxy-5-[2-[4-(phenylamino)-3-sulfophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-, sodium salt (1:3)

Molecular Formula

C₃₄H₂₄N₈O₁₄S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C34H24N8O14S3.3Na/c43-28-17-29(44)26(16-25(28)38-37-21-8-11-24(30(14-21)58(51,52)53)35-19-4-2-1-3-5-19)39-40-27-15-23(57(48,49)50)12-18-13-31(59(54,55)56)33(34(45)32(18)27)41-36-20-6-9-22(10-7-20)42(46)47;;;/h1-17,35,43-45H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;

InChIKey

InChIKey=TZHRXOAMXCZWQH-UHFFFAOYSA-N

SMILES

N(=NC1=CC(N=NC2=CC(S(=O)(=O)O)=C(NC3=CC=CC=C3)C=C2)=C(O)C=C1O)C=4C5=C(C=C(S(=O)(=O)O)C(N=NC6=CC=C(N(=O)=O)C=C6)=C5O)C=C(S(=O)(=O)O)C4.[Na]

Canonical SMILES

[Na].O=N(=O)C1=CC=C(N=NC=2C(O)=C3C(N=NC4=CC(N=NC5=CC=C(NC=6C=CC=CC6)C(=C5)S(=O)(=O)O)=C(O)C=C4O)=CC(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O)C=C1

Other Names for this Substance