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Substance Name: Benzenesulfonic acid, 4-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-
RN: 51596-04-4
InChIKey: BJVYYBLMMMDMOC-ODLFYWEKSA-N

Molecular Formula

  • C21-H18-N4-O8-S2

Molecular Weight

  • 518.525
 
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Names and Synonyms

Synonyms

  • EINECS 257-311-1
  • NSC 166359

Systematic Names

  • Benzenesulfonic acid, 4-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-
  • p-(4,5-Dihydro-4-((5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 51596-04-4

System Generated Number

  • 0051596044

Structure Descriptors

InChI

1S/C21H18N4O8S2/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33)/b19-11-

InChIKey

BJVYYBLMMMDMOC-ODLFYWEKSA-N

Smiles

c1(c(n(c2ccc(S(=O)(=O)O)cc2)nc1C)O)\C=C1/C(N(c2ccc(S(=O)(=O)O)cc2)N=C1C)=O