(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 3-bromanyl-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 3-bromanyl-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 2-bromo-4,7,7-trimethyl-3-oxo-norbornane-1-carboxylate CAS Name: 3-bromo-1,7,7-trimethyl-2-oxo-4-bicyclo[2.2.1]heptanecarboxylic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 3-bromo-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 2-bromo-3-keto-4,7,7-trimethyl-norbornane-1-carboxylic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C19H25BrO4 MolecularWeight: 397.3034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OC(=O)C23CCC(C2(C)C)(C(=O)C3Br)C)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OC(=O)C23CCC(C2(C)C)(C(=O)C3Br)C)C

InChI

InChI=1S/C19H25BrO4/c1-16(2)9-11(21)8-12(10-16)24-15(23)19-7-6-18(5,17(19,3)4)14(22)13(19)20/h8,13H,6-7,9-10H2,1-5H3