2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[[4-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-3-sulfophenyl]azo]-6-(phenylazo)-, trisodium salt

85631-90-9

CAS Name

2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[2-[4-[[4-[2-(4-hydroxyphenyl)diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-6-(2-phenyldiazenyl)-, sodium salt (1:3)

Molecular Formula

C₃₄H₂₆N₈O₁₁S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C34H26N8O11S3.3Na/c35-31-30-19(17-29(56(51,52)53)33(34(30)44)42-39-21-4-2-1-3-5-21)16-28(55(48,49)50)32(31)41-40-24-12-15-26(27(18-24)54(45,46)47)36-20-6-8-22(9-7-20)37-38-23-10-13-25(43)14-11-23;;;/h1-18,36,43-44H,35H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;

InChIKey

InChIKey=ZSPIKJPGUIQKQV-UHFFFAOYSA-N

SMILES

NC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=CC(S(=O)(=O)O)=C(NC4=CC=C(N=NC5=CC=C(O)C=C5)C=C4)C=C3)C=C(S(=O)(=O)O)C(N=NC6=CC=CC=C6)=C2O.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC2=CC(=C(N=NC3=CC=C(NC4=CC=C(N=NC5=CC=C(O)C=C5)C=C4)C(=C3)S(=O)(=O)O)C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)O

Other Names for this Substance