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Substance Name: 1H-Pyrazole-3-carboxylic acid, 4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
RN: 29092-63-5
InChIKey: ZALKFJRRNQAOGJ-QURGRASLSA-N

Molecular Formula

  • C20-H20-N4-O14-S3

Molecular Weight

  • 636.59
 
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Names and Synonyms

Synonym

  • EINECS 249-425-5

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
  • 1H-Pyrazole-3-carboxylic acid, 4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
  • 4-((4-((2-Hydroxyethyl)sulphonyl)-2,5-dimethoxyphenyl)azo)-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid, hydrogen sulphate (ester)

Registry Numbers

CAS Registry Number

  • 29092-63-5

Other Registry Number

  • 26424-23-7

System Generated Number

  • 0029092635

Structure Descriptors

InChI

1S/C20H20N4O14S3/c1-36-14-10-16(39(28,29)8-7-38-41(33,34)35)15(37-2)9-13(14)21-22-17-18(20(26)27)23-24(19(17)25)11-3-5-12(6-4-11)40(30,31)32/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35)/b22-21+

InChIKey

ZALKFJRRNQAOGJ-QURGRASLSA-N

Smiles

C1(=NN(c2ccc(S(=O)(=O)O)cc2)C([C@@H]1\N=N\c1cc(c(S(CCOS(=O)(=O)O)(=O)=O)cc1OC)OC)=O)C(=O)O