Benzenesulfonic acid, 2-[2-(4-nitro-2-sulfophenyl)ethenyl]-5-[[4-[(4-sulfophenyl)azo]-1-naphthalenyl]-NNO-azoxy]-, trisodium salt

CAS Name

Benzenesulfonic acid, 2-[2-(4-nitro-2-sulfophenyl)ethenyl]-5-[1-oxido-2-[4-[2-(4-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:3)

Molecular Formula

C₃₀H₂₁N₅O₁₂S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C30H21N5O12S3.3Na/c36-34(33-28-16-15-27(25-3-1-2-4-26(25)28)32-31-21-9-13-24(14-10-21)48(39,40)41)22-11-7-19(29(17-22)49(42,43)44)5-6-20-8-12-23(35(37)38)18-30(20)50(45,46)47;;;/h1-18H,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;

InChIKey

InChIKey=HPQHWOIILPSXKY-UHFFFAOYSA-N

SMILES

N(=NC1=CC=C(S(=O)(=O)O)C=C1)C=2C3=C(C(N=N(=O)C4=CC(S(=O)(=O)O)=C(C=CC5=C(S(=O)(=O)O)C=C(N(=O)=O)C=C5)C=C4)=CC2)C=CC=C3.[Na]

Canonical SMILES

[Na].O=N(=O)C1=CC=C(C=CC2=CC=C(C=C2S(=O)(=O)O)N(=O)=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)O)C=5C=CC=CC35)C(=C1)S(=O)(=O)O

Other Names for this Substance