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Substance Name: 4,5-Dihydro-5-oxo-4-((3-phosphonophenyl)azo)-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, ammonium sodium salt
RN: 85068-58-2
InChIKey: ZIEGIHWSZXFDQZ-MJCKVQKWSA-L

Molecular Formula

  • C16-H13-N4-O9-P-S.x-H3-N.x-Na

Molecular Weight

  • 546.3633
 
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Names and Synonyms

Synonym

  • EINECS 285-315-3

Systematic Name

  • 4,5-Dihydro-5-oxo-4-((3-phosphonophenyl)azo)-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, ammonium sodium salt

Registry Numbers

CAS Registry Number

  • 85068-58-2

System Generated Number

  • 0085068582

Molecular Formulas

Molecular Formula

  • C16-H13-N4-O9-P-S.x-H3-N.x-Na

Molecular Formula Fragments

  • C16-H13-N4-O9-P-S
  • COMPONENT
  • H3-N
  • Na

Structure Descriptors

InChI

1S/C16H13N4O9PS.2H3N.2Na/c21-15-13(18-17-9-2-1-3-11(8-9)30(24,25)26)14(16(22)23)19-20(15)10-4-6-12(7-5-10)31(27,28)29;;;;/h1-8,13H,(H,22,23)(H2,24,25,26)(H,27,28,29);2*1H3;;/q;;;2*+1/p-2/b18-17+;;;;

InChIKey

ZIEGIHWSZXFDQZ-MJCKVQKWSA-L

Smiles

c1cc(cc(c1)P(=O)([O-])[O-])/N=N/C2C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[Na+].[Na+]