4-butyloctyl 2-phenylethanoate

Systemtic Name: 4-butyloctyl 2-phenylethanoate Openeye Name: 4-butyloctyl 2-phenylacetate CAS Name: 2-phenylacetic acid 4-butyloctyl ester IUPAC Name: 4-butyloctyl 2-phenylacetate Traditional Name: 2-phenylacetic acid 4-butyloctyl ester Formula: C20H32O2 MolecularWeight: 304.46688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)CCCOC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCC(CCCC)CCCOC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C20H32O2/c1-3-5-11-18(12-6-4-2)15-10-16-22-20(21)17-19-13-8-7-9-14-19/h7-9,13-14,18H,3-6,10-12,15-17H2,1-2H3