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Substance Name: Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-(1-methylethylidene)-5-oxo-1H-pyrazol-1-yl)-, compd. with piperidine (1:1)
RN: 63123-38-6
InChIKey: GTQMXBLMIIGFDJ-UHFFFAOYSA-N

Molecular Formula

  • C13-H14-N2-O4-S.C5-H11-N

Molecular Weight

  • 379.478
 
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Names and Synonyms

Synonym

  • EINECS 263-881-2

Systematic Names

  • 4-(4,5-Dihydro-4-isopropylidene-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, compound with piperidine (1:1)
  • Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-(1-methylethylidene)-5-oxo-1H-pyrazol-1-yl)-, compd. with piperidine (1:1)

Registry Numbers

CAS Registry Number

  • 63123-38-6

System Generated Number

  • 0063123386

Molecular Formulas

Molecular Formula

  • C13-H14-N2-O4-S.C5-H11-N

Molecular Formula Fragments

  • C13-H14-N2-O4-S
  • C5-H11-N
  • COMPONENT

Structure Descriptors

InChI

1S/C13H14N2O4S.C5H11N/c1-8(2)12-9(3)14-15(13(12)16)10-4-6-11(7-5-10)20(17,18)19;1-2-4-6-5-3-1/h4-7H,1-3H3,(H,17,18,19);6H,1-5H2

InChIKey

GTQMXBLMIIGFDJ-UHFFFAOYSA-N

Smiles

O=C1N(N=C(C)\C1=C(/C)C)c1ccc(cc1)S(=O)(O)=O.C1CCCCN1