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Substance Name: Chromate(1-), diaqua(4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))hydroxy-, sodium (1:1)
RN: 67893-10-1
InChIKey: KYNNTXQNAJYITO-SOIHCWMDSA-K

Molecular Formula

  • C16-H15-Cr-N5-O10-S.Na

Molecular Weight

  • 544.372
 
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Names and Synonyms

Synonym

  • Chromate(1-), triaqua(2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)-4-nitrophenolato(3-))-, sodium

Systematic Names

  • Chromate(1-), diaqua(4-(4,5-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))hydroxy-, sodium
  • Chromate(1-), diaqua(4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))hydroxy-, sodium (1:1)

Registry Numbers

CAS Registry Number

  • 67893-10-1

System Generated Number

  • 0067893101

Molecular Formulas

Molecular Formula

  • C16-H15-Cr-N5-O10-S.Na

Molecular Formula Fragments

  • C16-H15-Cr-N5-O10-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H12N5O7S.Cr.Na.3H2O/c1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;;;;;/h2-8,22H,1H3,(H,26,27,28);;;3*1H2/q-1;+3;+1;;;/p-3/b18-17+;;;;;

InChIKey

KYNNTXQNAJYITO-SOIHCWMDSA-K

Smiles

[Cr+3].S(c1ccc(cc1)N1C([C@@-](C(C)=N1)\N=N\c1cc(ccc1[O-])[N+](=O)[O-])=O)([O-])(=O)=O.[Na]O.O.O