Ethyl 4-(methylsulfonyl)-β-oxobenzenepropanoate

CAS Registry Number®

53090-47-4
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CAS Name

Ethyl 4-(methylsulfonyl)-β-oxobenzenepropanoate

Molecular Formula

C12H14O5S

Molecular Mass

270.30

Cite this Page

Ethyl 4-(methylsulfonyl)-β-oxobenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53090-47-4 (retrieved 2024-08-04) (CAS RN: 53090-47-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H14O5S/c1-3-17-12(14)8-11(13)9-4-6-10(7-5-9)18(2,15)16/h4-7H,3,8H2,1-2H3

InChIKey

InChIKey=MBHWZPQTUFGMJY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, 4-(methylsulfonyl)-β-oxo-, ethyl ester
  • Ethyl 4-(methylsulfonyl)-β-oxobenzenepropanoate
  • Ethyl 3-(4-(methylsulfonyl)phenyl)-3-oxopropanoate