tetradecan-2-yl 3-methylbenzoate

Systemtic Name: tetradecan-2-yl 3-methylbenzoate Openeye Name: 1-methyltridecyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid tetradecan-2-yl ester IUPAC Name: tetradecan-2-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 1-methyltridecyl ester Formula: C22H36O2 MolecularWeight: 332.52004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)OC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCCCCCCC(C)OC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-16-20(3)24-22(23)21-17-14-15-19(2)18-21/h14-15,17-18,20H,4-13,16H2,1-3H3