[(1S,2R,3S)-2-fluoranyl-3-methyl-cyclohexyl] benzoate

Systemtic Name: [(1S,2R,3S)-2-fluoranyl-3-methyl-cyclohexyl] benzoate Openeye Name: [(1S,2R,3S)-2-fluoro-3-methyl-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,3S)-2-fluoro-3-methylcyclohexyl] ester IUPAC Name: [(1S,2R,3S)-2-fluoro-3-methylcyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,3S)-2-fluoro-3-methyl-cyclohexyl] ester Formula: C14H17FO2 MolecularWeight: 236.281983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1F)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1F)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17FO2/c1-10-6-5-9-12(13(10)15)17-14(16)11-7-3-2-4-8-11/h2-4,7-8,10,12-13H,5-6,9H2,1H3/t10-,12-,13+/m0/s1