3-[[(1E)-2-Cyanoethenyl]sulfonyl]-α,α-dimethylbenzeneacetic acid

CAS Registry Number®

1356089-42-3
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CAS Name

3-[[(1E)-2-Cyanoethenyl]sulfonyl]-α,α-dimethylbenzeneacetic acid

Molecular Formula

C13H13NO4S

Molecular Mass

279.31

Cite this Page

3-[[(1E)-2-Cyanoethenyl]sulfonyl]-α,α-dimethylbenzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1356089-42-3 (retrieved 2024-08-05) (CAS RN: 1356089-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H13NO4S/c1-13(2,12(15)16)10-5-3-6-11(9-10)19(17,18)8-4-7-14/h3-6,8-9H,1-2H3,(H,15,16)/b8-4+

InChIKey

InChIKey=AYVOLEZTKKRYJI-XBXARRHUSA-N

SMILES

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

Canonical SMILES

N#CC=CS(=O)(=O)C=1C=CC=C(C1)C(C(=O)O)(C)C

Other Names for this Substance

  • Benzeneacetic acid, 3-[[(1E)-2-cyanoethenyl]sulfonyl]-α,α-dimethyl-
  • 3-[[(1E)-2-Cyanoethenyl]sulfonyl]-α,α-dimethylbenzeneacetic acid