4-methylpentyl 3-(trifluoromethyl)benzoate

Systemtic Name: 4-methylpentyl 3-(trifluoromethyl)benzoate Openeye Name: isohexyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid isohexyl ester Formula: C14H17F3O2 MolecularWeight: 274.27879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C14H17F3O2/c1-10(2)5-4-8-19-13(18)11-6-3-7-12(9-11)14(15,16)17/h3,6-7,9-10H,4-5,8H2,1-2H3