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

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(2-ethanoyl-4-oxidanyl-phenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(2-acetyl-4-hydroxy-phenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-acetyl-4-hydroxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(2-acetyl-4-hydroxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(2-acetyl-4-hydroxy-phenyl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C25H30O6 MolecularWeight: 426.5021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)O)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)O)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O

InChI

InChI=1S/C25H30O6/c1-13(26)16-8-14(27)6-7-15(16)21(22-17(28)9-24(2,3)10-18(22)29)23-19(30)11-25(4,5)12-20(23)31/h6-8,21-22,27,30H,9-12H2,1-5H3