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

Systemtic Name: (1S,3R,6R)-2,2-bis(fluoranyl)-3-methyl-6-(4-methylphenyl)sulfanyl-cyclohexan-1-ol Openeye Name: (1S,3R,6R)-2,2-difluoro-3-methyl-6-(p-tolylsulfanyl)cyclohexanol CAS Name: (1S,3R,6R)-2,2-difluoro-3-methyl-6-[(4-methylphenyl)thio]-1-cyclohexanol IUPAC Name: (1S,3R,6R)-2,2-difluoro-3-methyl-6-(4-methylphenyl)sulfanylcyclohexan-1-ol Traditional Name: (1S,3R,6R)-2,2-difluoro-3-methyl-6-(p-tolylthio)cyclohexanol Formula: C14H18F2OS MolecularWeight: 272.353926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1(F)F)O)SC2=CC=C(C=C2)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1(F)F)O)SC2=CC=C(C=C2)C

InChI

InChI=1S/C14H18F2OS/c1-9-3-6-11(7-4-9)18-12-8-5-10(2)14(15,16)13(12)17/h3-4,6-7,10,12-13,17H,5,8H2,1-2H3/t10-,12-,13-/m1/s1