[(Z)-pentadec-12-en-10-ynyl] benzoate

Systemtic Name: [(Z)-pentadec-12-en-10-ynyl] benzoate Openeye Name: [(Z)-pentadec-12-en-10-ynyl] benzoate CAS Name: benzoic acid [(Z)-pentadec-12-en-10-ynyl] ester IUPAC Name: [(Z)-pentadec-12-en-10-ynyl] benzoate Traditional Name: benzoic acid [(Z)-pentadec-12-en-10-ynyl] ester Formula: C22H30O2 MolecularWeight: 326.4724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC#CCCCCCCCCCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CC/C=C\C#CCCCCCCCCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24-22(23)21-18-15-14-16-19-21/h3-4,14-16,18-19H,2,7-13,17,20H2,1H3/b4-3-