tetradecan-4-yl 3-methylbenzoate

Systemtic Name: tetradecan-4-yl 3-methylbenzoate Openeye Name: 1-propylundecyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid tetradecan-4-yl ester IUPAC Name: tetradecan-4-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 1-propylundecyl ester Formula: C22H36O2 MolecularWeight: 332.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCC)OC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCCCCC(CCC)OC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C22H36O2/c1-4-6-7-8-9-10-11-12-17-21(14-5-2)24-22(23)20-16-13-15-19(3)18-20/h13,15-16,18,21H,4-12,14,17H2,1-3H3