1,1,1-tris(fluoranyl)octan-2-yl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate Openeye Name: 1-(trifluoromethyl)heptyl 4-(4-benzyloxyphenyl)cyclohexanecarboxylate CAS Name: 4-(4-phenylmethoxyphenyl)-1-cyclohexanecarboxylic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-benzoxyphenyl)cyclohexanecarboxylic acid 1-(trifluoromethyl)heptyl ester Formula: C28H35F3O3 MolecularWeight: 476.57091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OC(=O)C1CCC(CC1)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(F)(F)F)OC(=O)C1CCC(CC1)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H35F3O3/c1-2-3-4-8-11-26(28(29,30)31)34-27(32)24-14-12-22(13-15-24)23-16-18-25(19-17-23)33-20-21-9-6-5-7-10-21/h5-7,9-10,16-19,22,24,26H,2-4,8,11-15,20H2,1H3