2-[(3-bromophenyl)-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]methyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(3-bromophenyl)-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(3-bromophenyl)-(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(3-bromophenyl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(3-bromophenyl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(3-bromophenyl)-(2,6-diketo-4,4-dimethyl-cyclohexyl)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(C2C(=O)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)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/h5-8,19-21H,9-12H2,1-4H3