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Substance Name: Chromate(1-), (2-(2-(4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-sulfobenzoato(4-)-kappaO)-, hydrogen (1:1)
RN: 68966-99-4
InChIKey: RXZABFBTPGGYMP-BLTQDSCZSA-L

Molecular Formula

  • C18-H12-Cr-N4-O9-S2.H

Molecular Weight

  • 546.456
 
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Names and Synonyms

Synonym

  • EINECS 273-463-1

Systematic Names

  • Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, hydrogen
  • Chromate(1-), (2-(2-(4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-sulfobenzoato(4-)-kappaO)-, hydrogen (1:1)
  • Hydrogen (2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulpho-o-tolyl)-1H-pyrazol-4-yl)azo)-4-sulphobenzoato(4-))chromate(1-)

Registry Numbers

CAS Registry Number

  • 68966-99-4

System Generated Number

  • 0068966994

Molecular Formulas

Molecular Formula

  • C18-H12-Cr-N4-O9-S2.H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C18H16N4O9S2.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;/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);/q;+2/p-2/b20-19-;

InChIKey

RXZABFBTPGGYMP-BLTQDSCZSA-L

Smiles

c1(n(nc(c1\N=N/c1cc(S(=O)(=O)[O-])ccc1C([O-])=O)C)c1c(cc(S(=O)(=O)[O-])cc1)C)O.[Cr+2]