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Substance Name: Barium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-4-((4-sulphonatophenyl)azo)-1H-pyrazole-3-carboxylate (3:2)
RN: 84681-80-1
InChIKey: TUFPOGFXQKGSJV-KTLGJLLMSA-H

Molecular Formula

  • C16-H12-N4-O9-S2.3/2Ba

Molecular Weight

  • 1342.7862
 
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Names and Synonyms

Synonym

  • EINECS 283-540-1

Systematic Name

  • Barium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-4-((4-sulphonatophenyl)azo)-1H-pyrazole-3-carboxylate (3:2)

Registry Numbers

CAS Registry Number

  • 84681-80-1

Related Registry Number

  • 1934-21-0 (Parent)

System Generated Number

  • 0084681801

Molecular Formulas

Molecular Formula

  • C16-H12-N4-O9-S2.3/2Ba

Molecular Formula Fragments

  • Ba
  • C16-H12-N4-O9-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H12N4O9S2.3Ba/c2*21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h2*1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;;3*+2/p-6/b2*18-17+;;;

InChIKey

TUFPOGFXQKGSJV-KTLGJLLMSA-H

Smiles

c1c(ccc(c1)S(=O)(=O)[O-])/N=N/C2C(=O)N(N=C2C(=O)[O-])c3ccc(cc3)S(=O)(=O)[O-].c1c(ccc(c1)S(=O)(=O)[O-])/N=N/C2C(=O)N(N=C2C(=O)[O-])c3ccc(cc3)S(=O)(=O)[O-].[Ba+2].[Ba+2].[Ba+2]