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Substance Name: Trisodium bis(2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)benzoato(3-))chromate(3-)
RN: 94277-62-0
InChIKey: BFYPYIJTOSQGOA-DFHSUBHDSA-J

Molecular Formula

  • C34-H22-Cr-N8-O12-S2.3Na

Molecular Weight

  • 919.6898
 
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Names and Synonyms

Synonym

  • EINECS 304-647-2

Systematic Names

  • Chromate(3-), bis(2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)benzoato(3-))-, trisodium
  • Trisodium bis(2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)benzoato(3-))chromate(3-)

Registry Numbers

CAS Registry Number

  • 94277-62-0

System Generated Number

  • 0094277620

Molecular Formulas

Molecular Formula

  • C34-H22-Cr-N8-O12-S2.3Na

Molecular Formula Fragments

  • C34-H22-Cr-N8-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C17H13N4O6S.Cr.3Na/c2*1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;;;;/h2*2-9H,1H3,(H,23,24)(H,25,26,27);;;;/q;;4*+1/p-4/b2*19-18+;;;;

InChIKey

BFYPYIJTOSQGOA-DFHSUBHDSA-J

Smiles

CC1=NN2C(=O)C1\3[Cr-3]45(OS(=O)(=O)c6ccc(cc6)N7N=C(C4(C7=O)/N=N/c8c(cccc8)C(=O)O5)C)(OS(=O)(=O)c9ccc2cc9)OC(=O)c1c(cccc1)/N=N3.[Na+].[Na+].[Na+]