Benzenesulfonic acid, 2,2′-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4)

CAS Registry Number®

72252-60-9

CAS Name

Benzenesulfonic acid, 2,2′-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4)

Molecular Formula

C42H34N10O14S4.4Na

Cite this Page

Benzenesulfonic acid, 2,2′-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72252-60-9 (retrieved 2024-11-26) (CAS RN: 72252-60-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H34N10O14S4.4Na/c1-25-21-29(7-15-35(25)49-51-37-17-9-31(23-39(37)69(61,62)63)47-45-27-3-11-33(12-4-27)67(55,56)57)43-41(53)19-20-42(54)44-30-8-16-36(26(2)22-30)50-52-38-18-10-32(24-40(38)70(64,65)66)48-46-28-5-13-34(14-6-28)68(58,59)60;;;;/h3-24H,1-2H3,(H,43,53)(H,44,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;

InChIKey

InChIKey=JBJHFSRGFMUJBV-UHFFFAOYSA-N

SMILES

N(=NC1=C(C)C=C(NC(C=CC(NC2=CC(C)=C(N=NC3=C(S(=O)(=O)O)C=C(N=NC4=CC=C(S(=O)(=O)O)C=C4)C=C3)C=C2)=O)=O)C=C1)C5=C(S(=O)(=O)O)C=C(N=NC6=CC=C(S(=O)(=O)O)C=C6)C=C5.[Na]

Canonical SMILES

[Na].O=C(C=CC(=O)NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2S(=O)(=O)O)C(=C1)C)NC4=CC=C(N=NC5=CC=C(N=NC6=CC=C(C=C6)S(=O)(=O)O)C=C5S(=O)(=O)O)C(=C4)C

Other Names for this Substance

  • Benzenesulfonic acid, 2,2′-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:4)
  • Benzenesulfonic acid, 2,2′-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulfophenyl)azo]-, tetrasodium salt

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