2-[(S)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-thiophen-3-yl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(S)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-thiophen-3-yl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(S)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-(3-thienyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(S)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-(3-thiophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(S)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-thiophen-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(S)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-(3-thienyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)[C@H](C2=CSC=C2)C3=C(CC(CC3=O)(C)C)O)C

InChI

InChI=1S/C21H26O4S/c1-20(2)7-13(22)18(14(23)8-20)17(12-5-6-26-11-12)19-15(24)9-21(3,4)10-16(19)25/h5-6,11,17-18,24H,7-10H2,1-4H3/t17-/m0/s1