[3,4,5-tris(fluoranyl)phenyl] 2-(4-octylcyclohexyl)benzoate

Systemtic Name: [3,4,5-tris(fluoranyl)phenyl] 2-(4-octylcyclohexyl)benzoate Openeye Name: (3,4,5-trifluorophenyl) 2-(4-octylcyclohexyl)benzoate CAS Name: 2-(4-octylcyclohexyl)benzoic acid (3,4,5-trifluorophenyl) ester IUPAC Name: (3,4,5-trifluorophenyl) 2-(4-octylcyclohexyl)benzoate Traditional Name: 2-(4-octylcyclohexyl)benzoic acid (3,4,5-trifluorophenyl) ester Formula: C27H33F3O2 MolecularWeight: 446.54493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=CC=C2C(=O)OC3=CC(=C(C(=C3)F)F)F

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=CC=C2C(=O)OC3=CC(=C(C(=C3)F)F)F

InChI

InChI=1S/C27H33F3O2/c1-2-3-4-5-6-7-10-19-13-15-20(16-14-19)22-11-8-9-12-23(22)27(31)32-21-17-24(28)26(30)25(29)18-21/h8-9,11-12,17-20H,2-7,10,13-16H2,1H3