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Substance Name: Benzenesulfonic acid, 4-(4-((1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)methyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
RN: 34142-26-2
InChIKey: PTOFMVRVTDBZKK-YBFXNURJSA-N

Molecular Formula

  • C21-H18-N4-O8-S2

Molecular Weight

  • 518.525
 
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Names and Synonyms

Synonym

  • EINECS 251-848-5

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 34142-26-2

System Generated Number

  • 0034142262

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/h3-11,18H,1-2H3,(H,28,29,30)(H,31,32,33)/b19-11+

InChIKey

PTOFMVRVTDBZKK-YBFXNURJSA-N

Smiles

O=C1N(N=C(C)\C1=C/[C@@H]1C(=O)N(N=C1C)c1ccc(S(=O)(=O)O)cc1)c1ccc(S(=O)(=O)O)cc1