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Substance Name: EINECS 279-649-9
RN: 80997-92-8
InChIKey: NTMXUNUQOOAVGG-FCKJOYPOSA-K

Molecular Formula

  • C37-H26-Cr-N9-O10-S.2Na

Molecular Weight

  • 886.7074
 
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Names and Synonyms

Results Name

  • EINECS 279-649-9

Synonym

  • EINECS 279-649-9

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-))-, disodium

Registry Numbers

CAS Registry Number

  • 80997-92-8

System Generated Number

  • 0080997928

Molecular Formulas

Molecular Formula

  • C37-H26-Cr-N9-O10-S.2Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

NTMXUNUQOOAVGG-FCKJOYPOSA-K

Smiles

CC1=NN(C(=O)C12/N=N/c3ccc4cc3C(=O)O[Cr-2]25(C6(C(=NN(C6=O)c7ccc(cc7)NC(=O)C=C)C)/N=N/c8ccccc8C(=O)O5)OS4(=O)=O)c9ccccc9.[Na+].[Na+]