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Substance Name: 5-((4,5-Dihydro-3-methyl-1-(2-methyl-4-sulphophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-1H-1,2,4-triazole-3-carboxylic acid, sodium salt
RN: 85977-47-5
InChIKey: PUNDUHNIJLLPHJ-DDVLFWKVSA-L

Molecular Formula

  • C14-H13-N7-O6-S.x-Na

Molecular Weight

  • 451.3299
 
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Names and Synonyms

Synonym

  • EINECS 289-078-7

Systematic Name

  • 5-((4,5-Dihydro-3-methyl-1-(2-methyl-4-sulphophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-1H-1,2,4-triazole-3-carboxylic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 85977-47-5

System Generated Number

  • 0085977475

Molecular Formulas

Molecular Formula

  • C14-H13-N7-O6-S.x-Na

Molecular Formula Fragments

  • C14-H13-N7-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H13N7O6S.2Na/c1-6-5-8(28(25,26)27)3-4-9(6)21-12(22)10(7(2)20-21)16-18-14-15-11(13(23)24)17-19-14;;/h3-5,10H,1-2H3,(H,23,24)(H,15,17,19)(H,25,26,27);;/q;2*+1/p-2/b18-16+;;

InChIKey

PUNDUHNIJLLPHJ-DDVLFWKVSA-L

Smiles

Cc1cc(ccc1N2C(=O)C(C(=N2)C)/N=N/c3[nH]nc(n3)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]