(3R,4S)-4-oxidanyl-3-(phenylmethylsulfanyl)cyclohexan-1-one

Systemtic Name: (3R,4S)-4-oxidanyl-3-(phenylmethylsulfanyl)cyclohexan-1-one Openeye Name: (3R,4S)-3-benzylsulfanyl-4-hydroxy-cyclohexanone CAS Name: (3R,4S)-4-hydroxy-3-(phenylmethylthio)-1-cyclohexanone IUPAC Name: (3R,4S)-3-benzylsulfanyl-4-hydroxycyclohexan-1-one Traditional Name: (3R,4S)-3-(benzylthio)-4-hydroxy-cyclohexanone Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1O)SCC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)C[C@H]([C@H]1O)SCC2=CC=CC=C2

InChI

InChI=1S/C13H16O2S/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-5,12-13,15H,6-9H2/t12-,13+/m0/s1