Ethyl 3-cyano-η-oxobenzeneoctanoate

CAS Registry Number®

951885-66-8

CAS Name

Ethyl 3-cyano-η-oxobenzeneoctanoate

Molecular Formula

C17H21NO3

Molecular Mass

287.35

Cite this Page

Ethyl 3-cyano-η-oxobenzeneoctanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=951885-66-8 (retrieved 2024-11-24) (CAS RN: 951885-66-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H21NO3/c1-2-21-17(20)11-6-4-3-5-10-16(19)15-9-7-8-14(12-15)13-18/h7-9,12H,2-6,10-11H2,1H3

InChIKey

InChIKey=OSGYMPWFPQEZMH-UHFFFAOYSA-N

SMILES

C(CCCCCCC(OCC)=O)(=O)C1=CC(C#N)=CC=C1

Canonical SMILES

N#CC1=CC=CC(=C1)C(=O)CCCCCCC(=O)OCC

Other Names for this Substance

  • Benzeneoctanoic acid, 3-cyano-η-oxo-, ethyl ester
  • Ethyl 3-cyano-η-oxobenzeneoctanoate

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