methyl (1R,5R)-1-ethynyl-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-5-carboxylate

Systemtic Name: methyl (1R,5R)-1-ethynyl-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-5-carboxylate Openeye Name: methyl (1R,5R)-1-ethynyl-6-methylene-4-oxo-bicyclo[3.2.1]octane-5-carboxylate CAS Name: (1R,5R)-1-ethynyl-6-methylene-4-oxo-5-bicyclo[3.2.1]octanecarboxylic acid methyl ester IUPAC Name: methyl (1R,5R)-1-ethynyl-6-methylidene-4-oxobicyclo[3.2.1]octane-5-carboxylate Traditional Name: (1R,5R)-1-ethynyl-4-keto-6-methylene-bicyclo[3.2.1]octane-5-carboxylic acid methyl ester Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC(CCC1=O)(CC2=C)C#C

Isomeric SMILES

COC(=O)[C@@]12C[C@@](CCC1=O)(CC2=C)C#C

InChI

InChI=1S/C13H14O3/c1-4-12-6-5-10(14)13(8-12,9(2)7-12)11(15)16-3/h1H,2,5-8H2,3H3/t12-,13+/m0/s1