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Substance Name: Tripotassium 4,5-dihydro-4-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
RN: 97416-97-2
InChIKey: FXDZTRRZZIKKMQ-BFUOAJNWSA-K

Molecular Formula

  • C19-H18-N4-O13-S3.3K

Molecular Weight

  • 720.8345
 
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Names and Synonyms

Synonym

  • EINECS 306-847-5

Systematic Name

  • Tripotassium 4,5-dihydro-4-((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 97416-97-2

System Generated Number

  • 0097416972

Molecular Formulas

Molecular Formula

  • C19-H18-N4-O13-S3.3K

Molecular Formula Fragments

  • C19-H18-N4-O13-S3
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C19H18N4O13S3.3K/c1-35-15-7-6-13(37(27,28)9-8-36-39(32,33)34)10-14(15)20-21-16-17(19(25)26)22-23(18(16)24)11-2-4-12(5-3-11)38(29,30)31;;;/h2-7,10,16H,8-9H2,1H3,(H,25,26)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3/b21-20+;;;

InChIKey

FXDZTRRZZIKKMQ-BFUOAJNWSA-K

Smiles

[K+].[K+].[K+].N1(N=C([C@@H](C1=O)\N=N\c1c(ccc(c1)S(=O)(=O)CCOS(=O)(=O)[O-])OC)C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]