pentadecan-2-yl 3-(trifluoromethyl)benzoate

Systemtic Name: pentadecan-2-yl 3-(trifluoromethyl)benzoate Openeye Name: 1-methyltetradecyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid pentadecan-2-yl ester IUPAC Name: pentadecan-2-yl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid 1-methyltetradecyl ester Formula: C23H35F3O2 MolecularWeight: 400.51801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)OC(=O)C1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCC(C)OC(=O)C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C23H35F3O2/c1-3-4-5-6-7-8-9-10-11-12-13-15-19(2)28-22(27)20-16-14-17-21(18-20)23(24,25)26/h14,16-19H,3-13,15H2,1-2H3