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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-(4,4-dimethyl-2-oxidanyl-5-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-5-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-5-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-5-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-5-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C25H32O6 MolecularWeight: 428.51798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(C2=C(CC(C(=O)C2)(C)C)O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C2=C(CC(C(=O)C2)(C)C)O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C25H32O6/c1-24(2)11-17(27)23(18(28)12-24)22(14-7-8-19(30-5)20(9-14)31-6)15-10-21(29)25(3,4)13-16(15)26/h7-9,22-23,26H,10-13H2,1-6H3