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Substance Name: Benzenesulfonic acid, 5-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)diazenyl)-2,4-dimethoxy-
RN: 58779-19-4
InChIKey: RYSDOXFAMVNVML-QURGRASLSA-N

Molecular Formula

  • C20-H22-N4-O12-S3

Molecular Weight

  • 606.608
 
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Names and Synonyms

Synonym

  • EINECS 261-438-8

Systematic Names

  • 5-((4,5-Dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-2,4-dimethoxybenzenesulphonic acid
  • Benzenesulfonic acid, 5-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)azo)-2,4-dimethoxy-
  • Benzenesulfonic acid, 5-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)diazenyl)-2,4-dimethoxy-

Registry Numbers

CAS Registry Number

  • 58779-19-4

System Generated Number

  • 0058779194

Structure Descriptors

InChI

1S/C20H22N4O12S3/c1-12-19(22-21-15-10-18(38(28,29)30)17(35-3)11-16(15)34-2)20(25)24(23-12)13-5-4-6-14(9-13)37(26,27)8-7-36-39(31,32)33/h4-6,9-11,19H,7-8H2,1-3H3,(H,28,29,30)(H,31,32,33)/b22-21+

InChIKey

RYSDOXFAMVNVML-QURGRASLSA-N

Smiles

c1ccc(cc1N1C(=O)[C@@H](C(=N1)C)\N=N\c1c(OC)cc(OC)c(S(=O)(=O)O)c1)S(=O)(CCOS(=O)(=O)O)=O