[(1R,2R,3S,6S)-2-fluoranyl-3-methyl-6-(4-methylphenyl)sulfanyl-cyclohexyl] benzoate

Systemtic Name: [(1R,2R,3S,6S)-2-fluoranyl-3-methyl-6-(4-methylphenyl)sulfanyl-cyclohexyl] benzoate Openeye Name: [(1R,2R,3S,6S)-2-fluoro-3-methyl-6-(p-tolylsulfanyl)cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R,3S,6S)-2-fluoro-3-methyl-6-[(4-methylphenyl)thio]cyclohexyl] ester IUPAC Name: [(1R,2R,3S,6S)-2-fluoro-3-methyl-6-(4-methylphenyl)sulfanylcyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R,3S,6S)-2-fluoro-3-methyl-6-(p-tolylthio)cyclohexyl] ester Formula: C21H23FO2S MolecularWeight: 358.469523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1F)OC(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@@H]([C@@H]1F)OC(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23FO2S/c1-14-8-11-17(12-9-14)25-18-13-10-15(2)19(22)20(18)24-21(23)16-6-4-3-5-7-16/h3-9,11-12,15,18-20H,10,13H2,1-2H3/t15-,18-,19+,20-/m0/s1