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Substance Name: Ethyl pyrazolone T
RN: 6402-06-8
UNII: 01I9ZBY9IR
InChIKey: ODFCMJFINVPRFA-UHFFFAOYSA-N

Molecular Formula

  • C12-H12-N2-O6-S

Molecular Weight

  • 312.301
 
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Names and Synonyms

Name of Substance

  • Ethyl pyrazolone T

Synonyms

  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 3-ethyl ester
  • EINECS 229-016-8
  • UNII-01I9ZBY9IR

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 3-ethyl ester
  • 3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 6402-06-8

FDA UNII

  • 01I9ZBY9IR

System Generated Number

  • 0006402068

Structure Descriptors

InChI

1S/C12H12N2O6S/c1-2-20-12(16)10-7-11(15)14(13-10)8-3-5-9(6-4-8)21(17,18)19/h3-6H,2,7H2,1H3,(H,17,18,19)

InChIKey

ODFCMJFINVPRFA-UHFFFAOYSA-N

Smiles

O=C(OCC)C1=NN(C(=O)C1)c1ccc(S(=O)(=O)O)cc1