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Substance Name: Dihydrogen (2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulpho-o-tolyl)-1H-pyrazol-4-yl)azo)-4-sulphobenzoato(4-))chromate(2-)
RN: 85896-44-2
InChIKey: JSHCMFNOEJNNHH-RZLHGTIFSA-M

Molecular Formula

  • C18-H12-Cr-N4-O9-S2.2H

Molecular Weight

  • 546.4556
 
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Names and Synonyms

Synonym

  • EINECS 288-822-8

Systematic Name

  • Dihydrogen (2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulpho-o-tolyl)-1H-pyrazol-4-yl)azo)-4-sulphobenzoato(4-))chromate(2-)

Registry Numbers

CAS Registry Number

  • 85896-44-2

System Generated Number

  • 0085896442

Molecular Formulas

Molecular Formula

  • C18-H12-Cr-N4-O9-S2.2H

Molecular Formula Fragments

  • C18-H12-Cr-N4-O9-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C18H15N4O9S2.Cr/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25;/h3-8H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);/q;+1/p-1/b20-19+;

InChIKey

JSHCMFNOEJNNHH-RZLHGTIFSA-M

Smiles

CC1=NN2C(=O)C13N=Nc4cc5ccc4C(=O)O[Cr-2]3(OS(=O)(=O)c6ccc2c(C)c6)OS5(=O)=O