Benzenesulfonic acid, 4-[[4-[[3-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]phenyl]amino]-, monosodium salt

82457-23-6

CAS Name

Benzenesulfonic acid, 4-[[4-[2-[3-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]phenyl]amino]-, sodium salt (1:1)

Molecular Formula

C₂₆H₂₃N₃O₆S₂.Na

Molecular Mass

560.60

Other Names and Identifiers

InChI

InChI=1S/C26H23N3O6S2.Na/c1-18-3-12-25(13-4-18)37(33,34)35-26-16-11-23(17-19(26)2)29-28-22-7-5-20(6-8-22)27-21-9-14-24(15-10-21)36(30,31)32;/h3-17,27H,1-2H3,(H,30,31,32);

InChIKey

InChIKey=GELIRQQWSCFXKM-UHFFFAOYSA-N

SMILES

N(C1=CC=C(S(=O)(=O)O)C=C1)C2=CC=C(N=NC3=CC(C)=C(OS(=O)(=O)C4=CC=C(C)C=C4)C=C3)C=C2.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=C(C=C1)NC2=CC=C(N=NC3=CC=C(OS(=O)(=O)C4=CC=C(C=C4)C)C(=C3)C)C=C2

Other Names for this Substance