3-fluoranyl-4-octyl-4-[4-phenyl-3-(trifluoromethyloxy)phenyl]cyclohexane-1-carboxylate

Systemtic Name: 3-fluoranyl-4-octyl-4-[4-phenyl-3-(trifluoromethyloxy)phenyl]cyclohexane-1-carboxylate Openeye Name: 3-fluoro-4-octyl-4-[4-phenyl-3-(trifluoromethoxy)phenyl]cyclohexanecarboxylate CAS Name: 3-fluoro-4-octyl-4-[4-phenyl-3-(trifluoromethoxy)phenyl]-1-cyclohexanecarboxylate IUPAC Name: 3-fluoro-4-octyl-4-[4-phenyl-3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxylate Traditional Name: 3-fluoro-4-octyl-4-[4-phenyl-3-(trifluoromethoxy)phenyl]cyclohexanecarboxylate Formula: C28H33F4O3- MolecularWeight: 493.553433

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1F)C(=O)[O-])C2=CC(=C(C=C2)C3=CC=CC=C3)OC(F)(F)F

Isomeric SMILES

CCCCCCCCC1(CCC(CC1F)C(=O)[O-])C2=CC(=C(C=C2)C3=CC=CC=C3)OC(F)(F)F

InChI

InChI=1S/C28H34F4O3/c1-2-3-4-5-6-10-16-27(17-15-21(26(33)34)18-25(27)29)22-13-14-23(20-11-8-7-9-12-20)24(19-22)35-28(30,31)32/h7-9,11-14,19,21,25H,2-6,10,15-18H2,1H3,(H,33,34)/p-1