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

Systemtic Name: methyl (1S,2S,4R)-3,3-dimethoxy-2-oxidanyl-bicyclo[2.2.2]oct-5-ene-5-carboxylate Openeye Name: methyl (1S,2S,4R)-2-hydroxy-3,3-dimethoxy-bicyclo[2.2.2]oct-5-ene-5-carboxylate CAS Name: (1S,2S,4R)-2-hydroxy-3,3-dimethoxy-5-bicyclo[2.2.2]oct-5-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,4R)-2-hydroxy-3,3-dimethoxybicyclo[2.2.2]oct-5-ene-5-carboxylate Traditional Name: (1S,2S,4R)-2-hydroxy-3,3-dimethoxy-bicyclo[2.2.2]oct-5-ene-5-carboxylic acid methyl ester Formula: C12H18O5 MolecularWeight: 242.26832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2CCC1C(C2O)(OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H18O5/c1-15-11(14)8-6-7-4-5-9(8)12(16-2,17-3)10(7)13/h6-7,9-10,13H,4-5H2,1-3H3/t7-,9+,10-/m0/s1