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Substance Name: Chromate(2-), (N-(4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)-2-propenamidato(2-))(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydrobenzenesulfonato(3-))-, dihydrogen
RN: 16923-74-3
InChIKey: XXTDLSWPJFYODE-YEIGCYPGSA-M

Molecular Formula

  • C35-H25-Cr-N10-O10-S.2H

Molecular Weight

  • 831.7203
 
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Names and Synonyms

Synonym

  • EINECS 240-984-0

Systematic Name

  • Chromate(2-), (N-(4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)-2-propenamidato(2-))(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydrobenzenesulfonato(3-))-, dihydrogen

Registry Numbers

CAS Registry Number

  • 16923-74-3

System Generated Number

  • 0016923743

Molecular Formulas

Molecular Formula

  • C35-H25-Cr-N10-O10-S.2H

Molecular Formula Fragments

  • C35-H25-Cr-N10-O10-S
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C19H15N6O5.C16H13N4O5S.Cr/c1-3-17(27)20-12-4-6-13(7-5-12)24-19(28)18(11(2)23-24)22-21-15-10-14(25(29)30)8-9-16(15)26;1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21;/h3-10,26H,1H2,2H3,(H,20,27);2-9,21H,1H3,(H,23,24,25);/q;;+1/p-1/b22-21+;18-17+;

InChIKey

XXTDLSWPJFYODE-YEIGCYPGSA-M

Smiles

[H+].[H+].CC1=NN(C(=O)C12N=Nc3cc4ccc3O[Cr-2]25(C6(C(=NN(C6=O)c7ccc(cc7)NC(=O)C=C)C)N=Nc8cc(ccc8O5)[N+](=O)[O-])OS4(=O)=O)c9ccccc9