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

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(3-methoxy-4-propoxy-phenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-(3-methoxy-4-propoxy-phenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-(3-methoxy-4-propoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(3-methoxy-4-propoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-(3-methoxy-4-propoxy-phenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C27H36O6 MolecularWeight: 456.57114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O)OC

InChI

InChI=1S/C27H36O6/c1-7-10-33-21-9-8-16(11-22(21)32-6)23(24-17(28)12-26(2,3)13-18(24)29)25-19(30)14-27(4,5)15-20(25)31/h8-9,11,23-24,30H,7,10,12-15H2,1-6H3