2-[(5-bromanyl-3-tert-butyl-2-oxidanyl-phenyl)-(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-bromanyl-3-tert-butyl-2-oxidanyl-phenyl)-(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-bromo-3-tert-butyl-2-hydroxy-phenyl)-(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-bromo-3-tert-butyl-2-hydroxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[(5-bromo-3-tert-butyl-2-hydroxy-phenyl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C27H35BrO5 MolecularWeight: 519.4678

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC(=CC(=C2O)C(C)(C)C)Br)C3=C(CC(CC3=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC(=CC(=C2O)C(C)(C)C)Br)C3=C(CC(CC3=O)(C)C)O)O)C

InChI

InChI=1S/C27H35BrO5/c1-25(2,3)16-9-14(28)8-15(24(16)33)21(22-17(29)10-26(4,5)11-18(22)30)23-19(31)12-27(6,7)13-20(23)32/h8-9,21,29,31,33H,10-13H2,1-7H3