[(1S,4R,5S)-2-ethanoyl-3-oxidanyl-5-bicyclo[2.2.2]oct-2-enyl] ethanoate

Systemtic Name: [(1S,4R,5S)-2-ethanoyl-3-oxidanyl-5-bicyclo[2.2.2]oct-2-enyl] ethanoate Openeye Name: [(1S,4R,5S)-2-acetyl-3-hydroxy-5-bicyclo[2.2.2]oct-2-enyl] acetate CAS Name: acetic acid [(1S,4R,5S)-2-acetyl-3-hydroxy-5-bicyclo[2.2.2]oct-2-enyl] ester IUPAC Name: [(1S,4R,5S)-2-acetyl-3-hydroxy-5-bicyclo[2.2.2]oct-2-enyl] acetate Traditional Name: acetic acid [(1S,4R,5S)-2-acetyl-3-hydroxy-5-bicyclo[2.2.2]oct-2-enyl] ester Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2CCC1CC2OC(=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4/c1-6(13)11-8-3-4-9(12(11)15)10(5-8)16-7(2)14/h8-10,15H,3-5H2,1-2H3/t8-,9+,10-/m0/s1