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Substance Name: Chromate(2-), (4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))(2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:2)
RN: 72812-27-2
InChIKey: HFSRECBACISKTK-IVYOCVIQSA-M

Molecular Formula

  • C32-H21-Cr-N10-O11-S.2H

Molecular Weight

  • 807.6547
 
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Names and Synonyms

Synonym

  • Chromate(2-), (2,4-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(2,4-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-5-methyl-2-(4-sulfophenyl)-3H-pyrazol-3-onato(2-))-, dihydrogen

Systematic Names

  • Chromate(2-), (4-(4,5-dihydro-4-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))(2,4-dihydro-4-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, dihydrogen
  • Chromate(2-), (4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))(2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:2)

Registry Numbers

CAS Registry Number

  • 72812-27-2

System Generated Number

  • 0072812272

Molecular Formulas

Molecular Formula

  • C32-H21-Cr-N10-O11-S.2H

Molecular Formula Fragments

  • C32-H21-Cr-N10-O11-S
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C16H12N5O7S.C16H12N5O4.Cr/c1-9-15(18-17-13-7-4-11(21(24)25)8-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22;/h2-8,22H,1H3,(H,26,27,28);2-9,22H,1H3;/q;;+1/p-1/b2*18-17+;

InChIKey

HFSRECBACISKTK-IVYOCVIQSA-M

Smiles

[H+].[H+].CC1=NN(C(=O)C12N=Nc3ccc(cc3O[Cr-2]245C6(C(=NN(C6=O)c7ccc(cc7)S(=O)(=O)O4)C)N=Nc8ccc(cc8O5)[N+](=O)[O-])[N+](=O)[O-])c9ccccc9