heptadecyl 3-(trifluoromethyl)benzoate

Systemtic Name: heptadecyl 3-(trifluoromethyl)benzoate Openeye Name: heptadecyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid heptadecyl ester IUPAC Name: heptadecyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid heptadecyl ester Formula: C25H39F3O2 MolecularWeight: 428.57117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-24(29)22-18-17-19-23(21-22)25(26,27)28/h17-19,21H,2-16,20H2,1H3