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Substance Name: Benzenesulfonic acid, 4-(4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
RN: 25311-20-0
InChIKey: DXCCMFSEQJYYIA-QURGRASLSA-N

Molecular Formula

  • C20-H22-N4-O12-S3

Molecular Weight

  • 606.608
 
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Names and Synonyms

Synonym

  • EINECS 246-813-6

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 25311-20-0

System Generated Number

  • 0025311200

Structure Descriptors

InChI

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

InChIKey

DXCCMFSEQJYYIA-QURGRASLSA-N

Smiles

O=S(O)(=O)OCCS(=O)(=O)c1c(OC)cc(\N=N\[C@@H]2C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)c(OC)c1