[(E)-1-cyanononadec-1-en-3-yl] ethanoate

Systemtic Name: [(E)-1-cyanononadec-1-en-3-yl] ethanoate Openeye Name: 1-[(E)-2-cyanovinyl]heptadecyl acetate CAS Name: acetic acid [(E)-1-cyanononadec-1-en-3-yl] ester IUPAC Name: [(E)-1-cyanononadec-1-en-3-yl] acetate Traditional Name: acetic acid [(E)-1-cetyl-3-cyano-allyl] ester Formula: C22H39NO2 MolecularWeight: 349.55056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C=CC#N)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(/C=C/C#N)OC(=O)C

InChI

InChI=1S/C22H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(19-17-20-23)25-21(2)24/h17,19,22H,3-16,18H2,1-2H3/b19-17+