2-[(6-bromanyl-1,3-benzodioxol-5-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-[(6-bromanyl-1,3-benzodioxol-5-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-[(6-bromo-1,3-benzodioxol-5-yl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C24H27BrO6 MolecularWeight: 491.37158

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC3=C(C=C2Br)OCO3)C4=C(CC(CC4=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC3=C(C=C2Br)OCO3)C4=C(CC(CC4=O)(C)C)O)O)C

InChI

InChI=1S/C24H27BrO6/c1-23(2)7-14(26)21(15(27)8-23)20(22-16(28)9-24(3,4)10-17(22)29)12-5-18-19(6-13(12)25)31-11-30-18/h5-6,20,26,28H,7-11H2,1-4H3