2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(phenylmethylsulfanyl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(phenylmethylsulfanyl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[benzylsulfanyl-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-(phenylmethylthio)methyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[benzylsulfanyl-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[(benzylthio)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C24H30O4S MolecularWeight: 414.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=C(CC(CC2=O)(C)C)O)SCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=C(CC(CC2=O)(C)C)O)SCC3=CC=CC=C3)O)C

InChI

InChI=1S/C24H30O4S/c1-23(2)10-16(25)20(17(26)11-23)22(29-14-15-8-6-5-7-9-15)21-18(27)12-24(3,4)13-19(21)28/h5-9,22,25,27H,10-14H2,1-4H3