4-(phenylmethyl)-3-[2,3,4-tris(fluoranyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: 4-(phenylmethyl)-3-[2,3,4-tris(fluoranyl)phenyl]cyclohexane-1-carboxylate Openeye Name: 4-benzyl-3-(2,3,4-trifluorophenyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethyl)-3-(2,3,4-trifluorophenyl)-1-cyclohexanecarboxylate IUPAC Name: 4-benzyl-3-(2,3,4-trifluorophenyl)cyclohexane-1-carboxylate Traditional Name: 4-benzyl-3-(2,3,4-trifluorophenyl)cyclohexanecarboxylate Formula: C20H18F3O2- MolecularWeight: 347.35093

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1C(=O)[O-])C2=C(C(=C(C=C2)F)F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CC(C(CC1C(=O)[O-])C2=C(C(=C(C=C2)F)F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H19F3O2/c21-17-9-8-15(18(22)19(17)23)16-11-14(20(24)25)7-6-13(16)10-12-4-2-1-3-5-12/h1-5,8-9,13-14,16H,6-7,10-11H2,(H,24,25)/p-1