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Substance Name: Benzenesulfonic acid, 4-(4-(2-(4-((4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
RN: 72829-13-1
InChIKey: ZAKDIUJDZSMNSX-HKXUKFGYSA-L

Molecular Formula

  • C33-H27-N9-O9-S2.2Na

Molecular Weight

  • 801.727
 
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Names and Synonyms

Synonym

  • EINECS 276-905-1

Systematic Names

  • Benzenesulfonic acid, 4-(4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
  • Benzenesulfonic acid, 4-(4-(2-(4-((4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
  • Disodium p-(4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 72829-13-1

Other Registry Number

  • 102272-33-3

System Generated Number

  • 0072829131

Molecular Formulas

Molecular Formula

  • C33-H27-N9-O9-S2.2Na

Molecular Formula Fragments

  • C33-H27-N9-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H27N9O9S2.2Na/c1-19-29(32(44)41(39-19)25-11-15-27(16-12-25)52(46,47)48)37-35-23-5-3-21(4-6-23)31(43)34-22-7-9-24(10-8-22)36-38-30-20(2)40-42(33(30)45)26-13-17-28(18-14-26)53(49,50)51;;/h3-18,29-30H,1-2H3,(H,34,43)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2/b37-35+,38-36+;;

InChIKey

ZAKDIUJDZSMNSX-HKXUKFGYSA-L

Smiles

[Na+].[Na+].c1(ccc(cc1)N1N=C([C@@H](C1=O)\N=N\c1ccc(cc1)NC(c1ccc(cc1)\N=N\[C@@H]1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)[O-])C)=O)C)S(=O)(=O)[O-]