pentyl benzoate

Systemtic Name: pentyl benzoate Openeye Name: pentyl benzoate CAS Name: benzoic acid pentyl ester IUPAC Name: pentyl benzoate Traditional Name: benzoic acid amyl ester Formula: C12H16O2 MolecularWeight: 192.25424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3