1-[4-(Methylsulfonyl)phenyl]-1,4-pentanedione

CAS Registry Number®

189501-34-6
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CAS Name

1-[4-(Methylsulfonyl)phenyl]-1,4-pentanedione

Molecular Formula

C12H14O4S

Molecular Mass

254.30

Cite this Page

1-[4-(Methylsulfonyl)phenyl]-1,4-pentanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189501-34-6 (retrieved 2024-07-04) (CAS RN: 189501-34-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H14O4S/c1-9(13)3-8-12(14)10-4-6-11(7-5-10)17(2,15)16/h4-7H,3,8H2,1-2H3

InChIKey

InChIKey=NVQSZIPWICDNLW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1,4-Pentanedione, 1-[4-(methylsulfonyl)phenyl]-
  • 1-[4-(Methylsulfonyl)phenyl]-1,4-pentanedione
  • 1-[4-(Methylsulfonyl)phenyl]pentane-1,4-dione
  • 1-(4-Methanesulfonylphenyl)pentane-1,4-dione