4-[(Phenylmethyl)sulfonyl]benzoic acid

CAS Registry Number®

70793-11-2
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CAS Name

4-[(Phenylmethyl)sulfonyl]benzoic acid

Molecular Formula

C14H12O4S

Molecular Mass

276.31

Cite this Page

4-[(Phenylmethyl)sulfonyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70793-11-2 (retrieved 2024-09-09) (CAS RN: 70793-11-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    270-273 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C14H12O4S/c15-14(16)12-6-8-13(9-7-12)19(17,18)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)

InChIKey

InChIKey=PCISPSYBKMGNFW-UHFFFAOYSA-N

SMILES

S(CC1=CC=CC=C1)(=O)(=O)C2=CC=C(C(O)=O)C=C2

Canonical SMILES

O=C(O)C1=CC=C(C=C1)S(=O)(=O)CC=2C=CC=CC2

Other Names for this Substance

  • Benzoic acid, 4-[(phenylmethyl)sulfonyl]-
  • 4-[(Phenylmethyl)sulfonyl]benzoic acid
  • 4-(Benzylsulfonyl)benzoic acid