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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)-5-nitrobenzoato(2-))(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(3-))-, disodium
RN: 85136-44-3
InChIKey: ZPDSCIGJUXPYJQ-FCKJOYPOSA-K

Molecular Formula

  • C37-H25-Cr-N10-O12-S.2Na

Molecular Weight

  • 931.7045
 
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Names and Synonyms

Synonym

  • EINECS 285-769-2

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)-5-nitrobenzoato(2-))(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(3-))-, disodium

Registry Numbers

CAS Registry Number

  • 85136-44-3

System Generated Number

  • 0085136443

Molecular Formulas

Molecular Formula

  • C37-H25-Cr-N10-O12-S.2Na

Molecular Formula Fragments

  • C37-H25-Cr-N10-O12-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H15N6O6.C17H13N4O6S.Cr.2Na/c1-3-17(27)21-12-4-6-13(7-5-12)25-19(28)18(11(2)24-25)23-22-16-9-8-14(26(31)32)10-15(16)20(29)30;1-10-15(16(22)21(20-10)11-5-3-2-4-6-11)19-18-14-9-12(28(25,26)27)7-8-13(14)17(23)24;;;/h3-10H,1H2,2H3,(H,21,27)(H,29,30);2-9H,1H3,(H,23,24)(H,25,26,27);;;/q;;3*+1/p-3/b23-22+;19-18+;;;

InChIKey

ZPDSCIGJUXPYJQ-FCKJOYPOSA-K

Smiles

[Na+].[Na+].CC1=NN(C(=O)C12N=Nc3ccc(cc3C(=O)O[Cr-2]245OC(=O)c6ccc(cc6N=NC47C(=NN(C7=O)c8ccccc8)C)S(=O)(=O)O5)[N+](=O)[O-])c9ccc(NC(=O)C=C)cc9