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

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(5-phenylsulfanylfuran-2-yl)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)-(5-phenylsulfanyl-2-furyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-[5-(phenylthio)-2-furanyl]methyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-phenylsulfanylfuran-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-[5-(phenylthio)-2-furyl]methyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=C(O2)SC3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=C(O2)SC3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)O)C

InChI

InChI=1S/C27H30O5S/c1-26(2)12-17(28)23(18(29)13-26)25(24-19(30)14-27(3,4)15-20(24)31)21-10-11-22(32-21)33-16-8-6-5-7-9-16/h5-11,25,28,30H,12-15H2,1-4H3