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Substance Name: Trisodium 4-((4'-((3-carboxylato-4-hydroxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
RN: 6459-87-6
InChIKey: UUNPXCOEOGGFAI-SYOZAWHTSA-K

Molecular Formula

  • C29-H20-N6-O9-S.3Na

Molecular Weight

  • 694.5223
 
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Names and Synonyms

Synonym

  • EINECS 229-271-5

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4-((4'-((3-carboxy-4-hydroxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt
  • Trisodium 4-((4'-((3-carboxylato-4-hydroxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 6459-87-6

System Generated Number

  • 0006459876

Molecular Formulas

Molecular Formula

  • C29-H20-N6-O9-S.3Na

Molecular Formula Fragments

  • C29-H20-N6-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H20N6O9S.3Na/c36-24-14-9-20(15-23(24)28(38)39)32-30-18-5-1-16(2-6-18)17-3-7-19(8-4-17)31-33-25-26(29(40)41)34-35(27(25)37)21-10-12-22(13-11-21)45(42,43)44;;;/h1-15,25,36H,(H,38,39)(H,40,41)(H,42,43,44);;;/q;3*+1/p-3/b32-30+,33-31+;;;

InChIKey

UUNPXCOEOGGFAI-SYOZAWHTSA-K

Smiles

C1(=NN(C(=O)C1/N=N/c1ccc(c2ccc(/N=N/c3cc(C(=O)[O-])c(cc3)O)cc2)cc1)c1ccc(S(=O)(=O)[O-])cc1)C(=O)[O-].[Na+].[Na+].[Na+]