ethyl (5S)-5-bromanyl-4-oxidanylidene-bicyclo[5.1.1]nonane-3-carboxylate

Systemtic Name: ethyl (5S)-5-bromanyl-4-oxidanylidene-bicyclo[5.1.1]nonane-3-carboxylate Openeye Name: ethyl (5S)-5-bromo-4-oxo-bicyclo[5.1.1]nonane-3-carboxylate CAS Name: (5S)-5-bromo-4-oxo-3-bicyclo[5.1.1]nonanecarboxylic acid ethyl ester IUPAC Name: ethyl (5S)-5-bromo-4-oxobicyclo[5.1.1]nonane-3-carboxylate Traditional Name: (5S)-5-bromo-4-keto-bicyclo[5.1.1]nonane-3-carboxylic acid ethyl ester Formula: C12H17BrO3 MolecularWeight: 289.16558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2CC(C2)CC(C1=O)Br

Isomeric SMILES

CCOC(=O)C1CC2CC(C2)C[C@@H](C1=O)Br

InChI

InChI=1S/C12H17BrO3/c1-2-16-12(15)9-5-7-3-8(4-7)6-10(13)11(9)14/h7-10H,2-6H2,1H3/t7?,8?,9?,10-/m0/s1