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

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(4-methylsulfanylphenyl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-(4-methylsulfanylphenyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-[4-(methylthio)phenyl]methyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(4-methylsulfanylphenyl)methyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-[4-(methylthio)phenyl]methyl]-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=CC=C(C=C2)SC)C3=C(CC(CC3=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)SC)C3=C(CC(CC3=O)(C)C)O)O)C

InChI

InChI=1S/C24H30O4S/c1-23(2)10-16(25)21(17(26)11-23)20(14-6-8-15(29-5)9-7-14)22-18(27)12-24(3,4)13-19(22)28/h6-9,20,25,27H,10-13H2,1-5H3