phenethyl octanoate

Systemtic Name: phenethyl octanoate Openeye Name: phenethyl octanoate CAS Name: octanoic acid phenethyl ester IUPAC Name: phenethyl octanoate Traditional Name: caprylic acid phenethyl ester Formula: C16H24O2 MolecularWeight: 248.36056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3