(1R,2R,3S,6S)-2-fluoranyl-3-methyl-6-(4-methylphenyl)sulfanyl-cyclohexan-1-ol

Systemtic Name: (1R,2R,3S,6S)-2-fluoranyl-3-methyl-6-(4-methylphenyl)sulfanyl-cyclohexan-1-ol Openeye Name: (1R,2R,3S,6S)-2-fluoro-3-methyl-6-(p-tolylsulfanyl)cyclohexanol CAS Name: (1R,2R,3S,6S)-2-fluoro-3-methyl-6-[(4-methylphenyl)thio]-1-cyclohexanol IUPAC Name: (1R,2R,3S,6S)-2-fluoro-3-methyl-6-(4-methylphenyl)sulfanylcyclohexan-1-ol Traditional Name: (1R,2R,3S,6S)-2-fluoro-3-methyl-6-(p-tolylthio)cyclohexanol Formula: C14H19FOS MolecularWeight: 254.363463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1F)O)SC2=CC=C(C=C2)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@@H]([C@@H]1F)O)SC2=CC=C(C=C2)C

InChI

InChI=1S/C14H19FOS/c1-9-3-6-11(7-4-9)17-12-8-5-10(2)13(15)14(12)16/h3-4,6-7,10,12-14,16H,5,8H2,1-2H3/t10-,12-,13+,14-/m0/s1