BAY 11-7085

CAS Registry Number®

196309-76-9
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CAS Name

BAY 11-7085

Molecular Formula

C13H15NO2S

Molecular Mass

249.33

Cite this Page

BAY 11-7085.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=196309-76-9 (retrieved 2024-08-03) (CAS RN: 196309-76-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15NO2S/c1-13(2,3)11-5-7-12(8-6-11)17(15,16)10-4-9-14/h4-8,10H,1-3H3/b10-4+

InChIKey

InChIKey=VHKZGNPOHPFPER-ONNFQVAWSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Propenenitrile, 3-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-, (2E)-
  • 2-Propenenitrile, 3-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-, (E)-
  • (2E)-3-[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]-2-propenenitrile
  • BAY 117083
  • BAY 11-7085

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