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Substance Name: Chromate(2-), (5-chloro-3-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-((1-oxo-2-propen-1-yl)amino)phenyl)-1H-pyrazol-4-yl)diazenyl)-2-hydroxybenzenesulfonato(3-))(4-(2-(5-chloro-2-hydroxyphenyl)diazenyl)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, sodium hydrogen (1:1:1)
RN: 71032-93-4
InChIKey: WUOPKCABIWSPMJ-KPBSILMLSA-L

Molecular Formula

  • C35-H24-Cl2-Cr-N9-O8-S.H.Na

Molecular Weight

  • 877.5955
 
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Names and Synonyms

Synonym

  • 5-Chloro-2-hydroxy-3-((5-hydroxy-3-methyl-1-(4-((1-oxo-2-propenyl)amino)phenyl)-1H-pyrazol-4-yl)azo)benzenesulfonic acid, monosodium salt, chromium complex with 4-((5-chloro-2-hydroxyphenyl)azo)-3-methyl-1-phenyl-1H-pyrazol-5-ol

Systematic Names

  • Chromate(2-), (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-(4-((1-oxo-2-propenyl)amino)phenyl)-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulfonato(3-))(4-((5-chloro-2-hydroxyphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, sodium hydrogen
  • Chromate(2-), (5-chloro-3-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-((1-oxo-2-propen-1-yl)amino)phenyl)-1H-pyrazol-4-yl)diazenyl)-2-hydroxybenzenesulfonato(3-))(4-(2-(5-chloro-2-hydroxyphenyl)diazenyl)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, sodium hydrogen (1:1:1)

Registry Numbers

CAS Registry Number

  • 71032-93-4

System Generated Number

  • 0071032934

Molecular Formulas

Molecular Formula

  • C35-H24-Cl2-Cr-N9-O8-S.H.Na

Molecular Formula Fragments

  • C35-H24-Cl2-Cr-N9-O8-S
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/C19H15ClN5O6S.C16H12ClN4O2.Cr.Na/c1-3-16(26)21-12-4-6-13(7-5-12)25-19(28)17(10(2)24-25)23-22-14-8-11(20)9-15(18(14)27)32(29,30)31;1-10-15(19-18-13-9-11(17)7-8-14(13)22)16(23)21(20-10)12-5-3-2-4-6-12;;/h3-9,27H,1H2,2H3,(H,21,26)(H,29,30,31);2-9,22H,1H3;;/q;;2*+1/p-2/b23-22+;19-18+;;

InChIKey

WUOPKCABIWSPMJ-KPBSILMLSA-L

Smiles

[H+].CC1=NN(C(=O)C12N=Nc3cc(ccc3O[Cr-2]245C6(C(=NN(C6=O)c7ccc(cc7)NC(=O)C=C)C)N=Nc8cc(cc(c8O4)S(=O)(=O)O5)Cl)Cl)c9ccccc9.[Na+]