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

Systemtic Name: 2-[(3-bromophenyl)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(3-bromophenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(3-bromophenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(3-bromophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(3-bromophenyl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C23H27BrO4 MolecularWeight: 447.36208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrO4/c1-22(2)9-15(25)20(16(26)10-22)19(13-6-5-7-14(24)8-13)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-20,27H,9-12H2,1-4H3