3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate

CAS Registry Number®

6402-06-8

CAS Name

3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate

Molecular Formula

C12H12N2O6S

Molecular Mass

312.30

Cite this Page

3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6402-06-8 (retrieved 2024-12-01) (CAS RN: 6402-06-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=ODFCMJFINVPRFA-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C(OCC)=O)C1)C2=CC=C(S(=O)(=O)O)C=C2

Canonical SMILES

O=C(OCC)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

Other Names for this Substance

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