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Substance Name: Chromate(1-), (5-chloro-3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)benzenesulfonato(4-))-, sodium (1:1)
RN: 82933-90-2
InChIKey: FMOVBVTXFLEFDJ-BUFQOAPZSA-K

Molecular Formula

  • C16-H9-Cl-Cr-N4-O8-S2.Na

Molecular Weight

  • 559.838
 
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Names and Synonyms

Synonym

  • EINECS 280-068-8

Systematic Names

  • Chromate(1-), (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulfonato(4-))-, sodium
  • Chromate(1-), (5-chloro-3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)benzenesulfonato(4-))-, sodium (1:1)
  • Sodium (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulphophenyl)-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulphonato(4-))chromate(1-)

Registry Numbers

CAS Registry Number

  • 82933-90-2

System Generated Number

  • 0082933902

Molecular Formulas

Molecular Formula

  • C16-H9-Cl-Cr-N4-O8-S2.Na

Molecular Formula Fragments

  • C16-H9-Cl-Cr-N4-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H12ClN4O8S2.Cr.Na/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26;;/h2-7,22H,1H3,(H,24,25,26)(H,27,28,29);;/q-1;+3;+1/p-3/b19-18+;;

InChIKey

FMOVBVTXFLEFDJ-BUFQOAPZSA-K

Smiles

[Na+].[Cr+3].S([O-])(=O)(=O)c1c(c(cc(c1)Cl)\N=N\[C@@-]1C(=NN(c2cccc(S([O-])(=O)=O)c2)C1=O)C)[O-]