4-phenylbutyl ethanoate

Systemtic Name: 4-phenylbutyl ethanoate Openeye Name: 4-phenylbutyl acetate CAS Name: acetic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl acetate Traditional Name: acetic acid 4-phenylbutyl ester Formula: C12H16O2 MolecularWeight: 192.25424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)OCCCCC1=CC=CC=C1

InChI

InChI=1S/C12H16O2/c1-11(13)14-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3