[(1R,2S,6S)-2-(4-methylphenyl)sulfanyl-6-oxidanyl-cyclohexyl]-phenyl-methanone

Systemtic Name: [(1R,2S,6S)-2-(4-methylphenyl)sulfanyl-6-oxidanyl-cyclohexyl]-phenyl-methanone Openeye Name: [(1R,2S,6S)-2-hydroxy-6-(p-tolylsulfanyl)cyclohexyl]-phenyl-methanone CAS Name: [(1R,2S,6S)-2-hydroxy-6-[(4-methylphenyl)thio]cyclohexyl]-phenylmethanone IUPAC Name: [(1R,2S,6S)-2-hydroxy-6-(4-methylphenyl)sulfanylcyclohexyl]-phenylmethanone Traditional Name: [(1R,2S,6S)-2-hydroxy-6-(p-tolylthio)cyclohexyl]-phenyl-methanone Formula: C20H22O2S MolecularWeight: 326.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CCCC(C2C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H]2CCC[C@@H]([C@@H]2C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H22O2S/c1-14-10-12-16(13-11-14)23-18-9-5-8-17(21)19(18)20(22)15-6-3-2-4-7-15/h2-4,6-7,10-13,17-19,21H,5,8-9H2,1H3/t17-,18-,19-/m0/s1