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Substance Name: Chromate(2-), (2-((4,5-dihydro-3-methyl-5-oxo-1-(4-((1-oxo-2-propenyl)amino)phenyl)-1H-pyrazol-4-yl)azo)benzoato(2-))(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-5-sulfobenzoato(3-))-, dihydrogen
RN: 93783-62-1
InChIKey: MGTYGJNGWGYMOC-WXCRSBOWSA-M

Molecular Formula

  • C37-H26-Cr-N9-O10-S.2H

Molecular Weight

  • 842.7432
 
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Names and Synonyms

Synonym

  • EINECS 298-257-9

Systematic Name

  • Chromate(2-), (2-((4,5-dihydro-3-methyl-5-oxo-1-(4-((1-oxo-2-propenyl)amino)phenyl)-1H-pyrazol-4-yl)azo)benzoato(2-))(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-5-sulfobenzoato(3-))-, dihydrogen

Registry Numbers

CAS Registry Number

  • 93783-62-1

System Generated Number

  • 0093783621

Molecular Formulas

Molecular Formula

  • C37-H26-Cr-N9-O10-S.2H

Molecular Formula Fragments

  • C37-H26-Cr-N9-O10-S
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C20H16N5O4.C17H13N4O6S.Cr/c1-3-17(26)21-13-8-10-14(11-9-13)25-19(27)18(12(2)24-25)23-22-16-7-5-4-6-15(16)20(28)29;1-10-14(16(22)21(20-10)11-6-3-2-4-7-11)18-19-15-12(17(23)24)8-5-9-13(15)28(25,26)27;/h3-11H,1H2,2H3,(H,21,26)(H,28,29);2-9H,1H3,(H,23,24)(H,25,26,27);/q;;+1/p-1/b23-22+;19-18+;

InChIKey

MGTYGJNGWGYMOC-WXCRSBOWSA-M

Smiles

CC1=NN(C(=O)C12N=Nc3ccccc3C(=O)O[Cr-2]245OC(=O)c6cccc(c6N=NC47C(=NN(C7=O)c8ccccc8)C)S(=O)(=O)O5)c9ccc(NC(=O)C=C)cc9