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Substance Name: Benzenesulfonic acid, 2,2'-(carbonylbis(imino(2-((aminocarbonyl)amino)-4,1-phenylene)-2,1-diazenediyl))bis(5-(2-(4-sulfophenyl)diazenyl)-, sodium salt (1:4)
RN: 72829-40-4
InChIKey: XUWJQQLWBONKLM-CIWXOAIBSA-J

Molecular Formula

  • C39-H32-N14-O15-S4.4Na

Molecular Weight

  • 1152.96
 
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Names and Synonyms

Synonyms

  • 5,5'-(Carbonyldiimino)bis(N-carbamyl-2-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo))benzeneamine
  • EINECS 276-921-9

Systematic Names

  • Benzenesulfonic acid, 2,2'-(carbonylbis(imino(2-((aminocarbonyl)amino)-4,1-phenylene)-2,1-diazenediyl))bis(5-(2-(4-sulfophenyl)diazenyl)-, sodium salt (1:4)
  • Benzenesulfonic acid, 2,2'-(carbonylbis(imino(2-((aminocarbonyl)amino)-4,1-phenylene)azo))bis(5-((4-sulfophenyl)azo)-, tetrasodium salt
  • Tetrasodium 2,2'-(carbonylbis(imino(2-((aminocarbonyl)amino)-4,1-phenylene)azo))bis(5-((4-sulphonatophenyl)azo)benzenesulphonate)

Registry Numbers

CAS Registry Number

  • 72829-40-4

System Generated Number

  • 0072829404

Molecular Formulas

Molecular Formula

  • C39-H32-N14-O15-S4.4Na

Molecular Formula Fragments

  • C39-H32-N14-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H32N14O15S4.4Na/c40-37(54)44-33-17-23(5-13-29(33)50-52-31-15-7-25(19-35(31)71(63,64)65)48-46-21-1-9-27(10-2-21)69(57,58)59)42-39(56)43-24-6-14-30(34(18-24)45-38(41)55)51-53-32-16-8-26(20-36(32)72(66,67)68)49-47-22-3-11-28(12-4-22)70(60,61)62;;;;/h1-20H,(H3,40,44,54)(H3,41,45,55)(H2,42,43,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4/b48-46+,49-47+,52-50+,53-51+;;;;

InChIKey

XUWJQQLWBONKLM-CIWXOAIBSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].C(=O)(Nc1cc(c(cc1)\N=N\c1c(cc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)Nc1cc(c(cc1)\N=N\c1c(cc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N