3-Methyl-4-(methylsulfonyl)benzoic acid

CAS Registry Number®

1186663-65-9
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CAS Name

3-Methyl-4-(methylsulfonyl)benzoic acid

Molecular Formula

C9H10O4S

Molecular Mass

214.24

Cite this Page

3-Methyl-4-(methylsulfonyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1186663-65-9 (retrieved 2024-06-20) (CAS RN: 1186663-65-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H10O4S/c1-6-5-7(9(10)11)3-4-8(6)14(2,12)13/h3-5H,1-2H3,(H,10,11)

InChIKey

InChIKey=JVBNILACPMFONW-UHFFFAOYSA-N

SMILES

S(C)(=O)(=O)C1=C(C)C=C(C(O)=O)C=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-methyl-4-(methylsulfonyl)-
  • 3-Methyl-4-(methylsulfonyl)benzoic acid
  • 3-Methyl-4-methylsulfonylbenzoic acid

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