pentadecan-4-yl 3-(trifluoromethyl)benzoate

Systemtic Name: pentadecan-4-yl 3-(trifluoromethyl)benzoate Openeye Name: 1-propyldodecyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid pentadecan-4-yl ester IUPAC Name: pentadecan-4-yl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid 1-propyldodecyl ester Formula: C23H35F3O2 MolecularWeight: 400.51801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC)OC(=O)C1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCC(CCC)OC(=O)C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C23H35F3O2/c1-3-5-6-7-8-9-10-11-12-17-21(14-4-2)28-22(27)19-15-13-16-20(18-19)23(24,25)26/h13,15-16,18,21H,3-12,14,17H2,1-2H3