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Substance Name: Chromate(3-), bis(3-(2-(4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium (1:3)
RN: 75214-57-2
InChIKey: HQLVXWYIIUKXPQ-DFHSUBHDSA-J

Molecular Formula

  • C34-H24-Cr-N10-O14-S2.3Na

Molecular Weight

  • 981.718
 
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Names and Synonyms

Synonym

  • 4-((2-Hydroxy-3-nitro-5-sulfophenyl)azo)-4,5-dihydro-5-oxo-3-methyl-1-(4-methylphenyl)-1H-pyrazole, Cr complex, trisodium salt

Systematic Names

  • Chromate(3-), bis(3-((4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, trisodium
  • Chromate(3-), bis(3-((4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulfonato(3-))-, trisodium
  • Chromate(3-), bis(3-(2-(4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium (1:3)

Registry Numbers

CAS Registry Number

  • 75214-57-2

System Generated Number

  • 0075214572

Molecular Formulas

Molecular Formula

  • C34-H24-Cr-N10-O14-S2.3Na

Molecular Formula Fragments

  • C34-H24-Cr-N10-O14-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C17H14N5O7S.Cr.3Na/c2*1-9-3-5-11(6-4-9)21-17(24)15(10(2)20-21)19-18-13-7-12(30(27,28)29)8-14(16(13)23)22(25)26;;;;/h2*3-8,23H,1-2H3,(H,27,28,29);;;;/q2*-1;+3;3*+1/p-4/b2*19-18+;;;;

InChIKey

HQLVXWYIIUKXPQ-DFHSUBHDSA-J

Smiles

c1(cc([N+](=O)[O-])c(c(c1)\N=N\[C@@-]1C(=NN(c2ccc(C)cc2)C1=O)C)[O-])S([O-])(=O)=O.[Cr+3].[Na+].c1(S([O-])(=O)=O)cc(c(c(c1)\N=N\[C@@-]1C(=NN(c2ccc(cc2)C)C1=O)C)[O-])[N+]([O-])=O.[Na+].[Na+]