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Substance Name: Chromate(1-), (S-(4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)phenyl) monothiosulfato(3-))-, sodium (1:1)
RN: 18756-44-0
InChIKey: NJHSYQLPCOZUDU-BUFQOAPZSA-L

Molecular Formula

  • C17-H13-Cr-N4-O7-S3.Na

Molecular Weight

  • 556.4947
 
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Names and Synonyms

  • Chromate(1-), (S-(4-(4,5-dihydro-4-((2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)phenyl) monothiosulfato(3-))-, sodium
  • Chromate(1-), (S-(4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)phenyl) monothiosulfato(3-))-, sodium (1:1)

Registry Numbers

CAS Registry Number

  • 18756-44-0

System Generated Number

  • 0018756440

Molecular Formulas

Molecular Formula

  • C17-H13-Cr-N4-O7-S3.Na

Molecular Formula Fragments

  • C17-H13-Cr-N4-O7-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H15N4O7S3.Cr.Na/c1-10-16(19-18-14-9-13(30(2,24)25)7-8-15(14)22)17(23)21(20-10)11-3-5-12(6-4-11)28-31(26,27)29;;/h3-9,22H,1-2H3,(H,26,27,29);;/q;2*+1/p-2/b19-18+;;

InChIKey

NJHSYQLPCOZUDU-BUFQOAPZSA-L

Smiles

CC1=NN2c3ccc(cc3)OS(=O)(=S)O[Cr-]4C1(C2=O)N=Nc5cc(ccc5O4)S(=O)(=O)C.[Na+]