octyl 3-methylbenzoate

Systemtic Name: octyl 3-methylbenzoate Openeye Name: octyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid octyl ester IUPAC Name: octyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid octyl ester Formula: C16H24O2 MolecularWeight: 248.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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