(3S,5S)-2,2-dimethyl-3-oxidanyl-3-[(1S)-1-oxidanyl-2-phenylsulfanyl-ethyl]-5-prop-1-en-2-yl-cyclohexan-1-one

Systemtic Name: (3S,5S)-2,2-dimethyl-3-oxidanyl-3-[(1S)-1-oxidanyl-2-phenylsulfanyl-ethyl]-5-prop-1-en-2-yl-cyclohexan-1-one Openeye Name: (3S,5S)-3-hydroxy-3-[(1S)-1-hydroxy-2-phenylsulfanyl-ethyl]-5-isopropenyl-2,2-dimethyl-cyclohexanone CAS Name: (3S,5S)-3-hydroxy-3-[(1S)-1-hydroxy-2-(phenylthio)ethyl]-2,2-dimethyl-5-(1-methylethenyl)-1-cyclohexanone IUPAC Name: (3S,5S)-3-hydroxy-3-[(1S)-1-hydroxy-2-phenylsulfanylethyl]-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-one Traditional Name: (3S,5S)-3-hydroxy-3-[(1S)-1-hydroxy-2-(phenylthio)ethyl]-5-isopropenyl-2,2-dimethyl-cyclohexanone Formula: C19H26O3S MolecularWeight: 334.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC(=O)C(C(C1)(C(CSC2=CC=CC=C2)O)O)(C)C

Isomeric SMILES

CC(=C)[C@@H]1CC(=O)C([C@@](C1)([C@@H](CSC2=CC=CC=C2)O)O)(C)C

InChI

InChI=1S/C19H26O3S/c1-13(2)14-10-16(20)18(3,4)19(22,11-14)17(21)12-23-15-8-6-5-7-9-15/h5-9,14,17,21-22H,1,10-12H2,2-4H3/t14-,17-,19-/m1/s1