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Substance Name: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-(2-(4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)diazenyl)-1-(4-sulfophenyl)-, sodium salt (1:3)
RN: 72187-36-1
InChIKey: IRHIDTCUFKGJPA-TYMWBDRGSA-K

Molecular Formula

  • C25-H21-N5-O13-S3.3Na

Molecular Weight

  • 761.607
 
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Names and Synonyms

Synonym

  • EINECS 276-449-3

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)azo)-1-(4-sulfophenyl)-, trisodium salt
  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-(2-(4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)diazenyl)-1-(4-sulfophenyl)-, sodium salt (1:3)
  • Trisodium 4,5-dihydro-5-oxo-4-((4-(((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)carbonyl)phenyl)azo)-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 72187-36-1

Other Registry Numbers

  • 339158-23-5
  • 87074-88-2

System Generated Number

  • 0072187361

Molecular Formulas

Molecular Formula

  • C25-H21-N5-O13-S3.3Na

Molecular Formula Fragments

  • C25-H21-N5-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H21N5O13S3.3Na/c31-23(26-17-2-1-3-20(14-17)44(35,36)13-12-43-46(40,41)42)15-4-6-16(7-5-15)27-28-21-22(25(33)34)29-30(24(21)32)18-8-10-19(11-9-18)45(37,38)39;;;/h1-11,14,21H,12-13H2,(H,26,31)(H,33,34)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b28-27+;;;

InChIKey

IRHIDTCUFKGJPA-TYMWBDRGSA-K

Smiles

[Na+].[Na+].[Na+].N1(N=C([C@@H](C1=O)\N=N\c1ccc(cc1)C(=O)Nc1cc(ccc1)S(=O)(=O)CCOS(=O)(=O)[O-])C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]