methyl (1S,4R,8S)-6-iodanyl-3-oxidanylidene-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate

Systemtic Name: methyl (1S,4R,8S)-6-iodanyl-3-oxidanylidene-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate Openeye Name: methyl (1S,4R,8S)-6-iodo-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate CAS Name: (1S,4R,8S)-6-iodo-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylic acid methyl ester IUPAC Name: methyl (1S,4R,8S)-6-iodo-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate Traditional Name: (1S,4R,8S)-6-iodo-3-keto-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylic acid methyl ester Formula: C9H9IO4 MolecularWeight: 308.06983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2C(=CC1C(=O)O2)I

Isomeric SMILES

COC(=O)[C@H]1C[C@H]2C(=C[C@@H]1C(=O)O2)I

InChI

InChI=1S/C9H9IO4/c1-13-8(11)5-3-7-6(10)2-4(5)9(12)14-7/h2,4-5,7H,3H2,1H3/t4-,5-,7-/m0/s1