2-[[5-(4-bromophenyl)furan-2-yl]-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[[5-(4-bromophenyl)furan-2-yl]-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[[5-(4-bromophenyl)-2-furyl]-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[[5-(4-bromophenyl)-2-furanyl]-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[[5-(4-bromophenyl)furan-2-yl]-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[[5-(4-bromophenyl)-2-furyl]-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C27H29BrO5 MolecularWeight: 513.42016

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=C(O2)C3=CC=C(C=C3)Br)C4=C(CC(CC4=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=C(O2)C3=CC=C(C=C3)Br)C4=C(CC(CC4=O)(C)C)O)O)C

InChI

InChI=1S/C27H29BrO5/c1-26(2)11-17(29)23(18(30)12-26)25(24-19(31)13-27(3,4)14-20(24)32)22-10-9-21(33-22)15-5-7-16(28)8-6-15/h5-10,25,29,31H,11-14H2,1-4H3