octan-4-yl 4-(trifluoromethyl)benzoate

Systemtic Name: octan-4-yl 4-(trifluoromethyl)benzoate Openeye Name: 1-propylpentyl 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid octan-4-yl ester IUPAC Name: octan-4-yl 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid 1-propylpentyl ester Formula: C16H21F3O2 MolecularWeight: 302.33195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3O2/c1-3-5-7-14(6-4-2)21-15(20)12-8-10-13(11-9-12)16(17,18)19/h8-11,14H,3-7H2,1-2H3