tetradecan-5-yl 3-methylbenzoate

Systemtic Name: tetradecan-5-yl 3-methylbenzoate Openeye Name: 1-butyldecyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid tetradecan-5-yl ester IUPAC Name: tetradecan-5-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 1-butyldecyl ester Formula: C22H36O2 MolecularWeight: 332.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCC)OC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCCCC(CCCC)OC(=O)C1=CC(=CC=C1)C

InChI

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