(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 6-bromanyl-1,5,5-trimethyl-bicyclo[2.1.1]hexane-4-carboxylate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 6-bromanyl-1,5,5-trimethyl-bicyclo[2.1.1]hexane-4-carboxylate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 6-bromo-1,5,5-trimethyl-bicyclo[2.1.1]hexane-4-carboxylate CAS Name: 6-bromo-1,5,5-trimethyl-4-bicyclo[2.1.1]hexanecarboxylic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 6-bromo-1,5,5-trimethylbicyclo[2.1.1]hexane-4-carboxylate Traditional Name: 6-bromo-1,5,5-trimethyl-bicyclo[2.1.1]hexane-4-carboxylic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C18H25BrO3 MolecularWeight: 369.2933

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OC(=O)C23CCC(C2Br)(C3(C)C)C)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OC(=O)C23CCC(C2Br)(C3(C)C)C)C

InChI

InChI=1S/C18H25BrO3/c1-15(2)9-11(20)8-12(10-15)22-14(21)18-7-6-17(5,13(18)19)16(18,3)4/h8,13H,6-7,9-10H2,1-5H3