2-[(Cyanomethyl)sulfonyl]benzoic acid

CAS Registry Number®

243984-87-4
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CAS Name

2-[(Cyanomethyl)sulfonyl]benzoic acid

Molecular Formula

C9H7NO4S

Molecular Mass

225.22

Cite this Page

2-[(Cyanomethyl)sulfonyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=243984-87-4 (retrieved 2024-09-07) (CAS RN: 243984-87-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H7NO4S/c10-5-6-15(13,14)8-4-2-1-3-7(8)9(11)12/h1-4H,6H2,(H,11,12)

InChIKey

InChIKey=JRTIKMQMPXQCEJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCS(=O)(=O)C=1C=CC=CC1C(=O)O

Other Names for this Substance

  • Benzoic acid, 2-[(cyanomethyl)sulfonyl]-
  • 2-[(Cyanomethyl)sulfonyl]benzoic acid
  • 2-Cyanomethylsulfonylbenzoic acid
  • (2-Carboxyphenylsulfonyl)acetonitrile
  • 2-(Cyanomethanesulfonyl)benzoic acid

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