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

Systemtic Name: 2-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(3-chloro-4-hydroxy-5-methoxy-phenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(3-chloro-4-hydroxy-5-methoxy-phenyl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C24H29ClO6 MolecularWeight: 448.93646

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C(=C2)Cl)O)OC)C3=C(CC(CC3=O)(C)C)O)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C(=C2)Cl)O)OC)C3=C(CC(CC3=O)(C)C)O)C

InChI

InChI=1S/C24H29ClO6/c1-23(2)8-14(26)20(15(27)9-23)19(12-6-13(25)22(30)18(7-12)31-5)21-16(28)10-24(3,4)11-17(21)29/h6-7,19-20,28,30H,8-11H2,1-5H3