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Substance Name: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1-(4-sulfophenyl)-, sodium salt (1:?)
RN: 85567-10-8
InChIKey: KXTIQKNSPYHWHZ-HVARVCSCSA-K

Molecular Formula

  • C18-H16-N4-O12-S3.x-Na

Molecular Weight

  • 642.485
 
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Names and Synonyms

Synonyms

  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1-(4-sulfophenyl)-, sodium salt
  • EINECS 287-722-1

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1-(4-sulfophenyl)-, sodium salt
  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1-(4-sulfophenyl)-, sodium salt (1:?)
  • 4,5-Dihydro-5-oxo-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 85567-10-8

System Generated Number

  • 0085567108

Molecular Formulas

Molecular Formula

  • C18-H16-N4-O12-S3.x-Na

Molecular Formula Fragments

  • C18-H16-N4-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H16N4O12S3.3Na/c23-17-15(16(18(24)25)21-22(17)12-3-7-14(8-4-12)36(28,29)30)20-19-11-1-5-13(6-2-11)35(26,27)10-9-34-37(31,32)33;;;/h1-8,15H,9-10H2,(H,24,25)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3/b20-19+;;;

InChIKey

KXTIQKNSPYHWHZ-HVARVCSCSA-K

Smiles

[Na+].[Na+].[Na+].N1(N=C([C@@H](C1=O)\N=N\c1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]