methyl (1S,4R)-3,3-dimethoxy-2-oxidanylidene-bicyclo[2.2.2]oct-5-ene-5-carboxylate

Systemtic Name: methyl (1S,4R)-3,3-dimethoxy-2-oxidanylidene-bicyclo[2.2.2]oct-5-ene-5-carboxylate Openeye Name: methyl (1S,4R)-3,3-dimethoxy-2-oxo-bicyclo[2.2.2]oct-5-ene-5-carboxylate CAS Name: (1S,4R)-3,3-dimethoxy-2-oxo-5-bicyclo[2.2.2]oct-5-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4R)-3,3-dimethoxy-2-oxobicyclo[2.2.2]oct-5-ene-5-carboxylate Traditional Name: (1S,4R)-2-keto-3,3-dimethoxy-bicyclo[2.2.2]oct-5-ene-5-carboxylic acid methyl ester Formula: C12H16O5 MolecularWeight: 240.25244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2CCC1C(C2=O)(OC)OC

Isomeric SMILES

COC(=O)C1=C[C@@H]2CC[C@H]1C(C2=O)(OC)OC

InChI

InChI=1S/C12H16O5/c1-15-11(14)8-6-7-4-5-9(8)12(16-2,17-3)10(7)13/h6-7,9H,4-5H2,1-3H3/t7-,9+/m0/s1