2,4-dimethyl-3-methylidene-4-oxidanyl-2-(phenylsulfanylmethyl)cyclohexan-1-one

Systemtic Name: 2,4-dimethyl-3-methylidene-4-oxidanyl-2-(phenylsulfanylmethyl)cyclohexan-1-one Openeye Name: 4-hydroxy-2,4-dimethyl-3-methylene-2-(phenylsulfanylmethyl)cyclohexanone CAS Name: 4-hydroxy-2,4-dimethyl-3-methylene-2-[(phenylthio)methyl]-1-cyclohexanone IUPAC Name: 4-hydroxy-2,4-dimethyl-3-methylidene-2-(phenylsulfanylmethyl)cyclohexan-1-one Traditional Name: 4-hydroxy-2,4-dimethyl-3-methylene-2-[(phenylthio)methyl]cyclohexanone Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(C1=C)(C)CSC2=CC=CC=C2)O

Isomeric SMILES

CC1(CCC(=O)C(C1=C)(C)CSC2=CC=CC=C2)O

InChI

InChI=1S/C16H20O2S/c1-12-15(2,14(17)9-10-16(12,3)18)11-19-13-7-5-4-6-8-13/h4-8,18H,1,9-11H2,2-3H3