1,1,1-tris(fluoranyl)heptan-2-yl 4-phenylmethoxybenzoate

Systemtic Name: 1,1,1-tris(fluoranyl)heptan-2-yl 4-phenylmethoxybenzoate Openeye Name: 1-(trifluoromethyl)hexyl 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid 1,1,1-trifluoroheptan-2-yl ester IUPAC Name: 1,1,1-trifluoroheptan-2-yl 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid 1-(trifluoromethyl)hexyl ester Formula: C21H23F3O3 MolecularWeight: 380.40073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23F3O3/c1-2-3-5-10-19(21(22,23)24)27-20(25)17-11-13-18(14-12-17)26-15-16-8-6-4-7-9-16/h4,6-9,11-14,19H,2-3,5,10,15H2,1H3