octyl 4-methylbenzoate

Systemtic Name: octyl 4-methylbenzoate Openeye Name: octyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid octyl ester IUPAC Name: octyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid octyl ester Formula: C16H24O2 MolecularWeight: 248.36056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H24O2/c1-3-4-5-6-7-8-13-18-16(17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3