3-Ethyl 4,5-dihydro-1-(4-methyl-2-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylate

CAS Registry Number®

83929-42-4

CAS Name

3-Ethyl 4,5-dihydro-1-(4-methyl-2-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylate

Molecular Formula

C13H14N2O6S

Molecular Mass

326.33

Cite this Page

3-Ethyl 4,5-dihydro-1-(4-methyl-2-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83929-42-4 (retrieved 2024-11-25) (CAS RN: 83929-42-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H14N2O6S/c1-3-21-13(17)9-7-12(16)15(14-9)10-5-4-8(2)6-11(10)22(18,19)20/h4-6H,3,7H2,1-2H3,(H,18,19,20)

InChIKey

InChIKey=FYBOEGLGOBUULR-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C(C=CC(C)=C1)N2N=C(C(OCC)=O)CC2=O

Canonical SMILES

O=C(OCC)C1=NN(C(=O)C1)C2=CC=C(C=C2S(=O)(=O)O)C

Other Names for this Substance

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

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