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

Systemtic Name: methyl (1S,4S,8R)-6-iodanyl-2-oxidanylidene-3-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate Openeye Name: methyl (1S,4S,8R)-6-iodo-2-oxo-3-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate CAS Name: (1S,4S,8R)-6-iodo-2-oxo-3-oxabicyclo[2.2.2]oct-5-ene-8-carboxylic acid methyl ester IUPAC Name: methyl (1S,4S,8R)-6-iodo-2-oxo-3-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate Traditional Name: (1S,4S,8R)-6-iodo-2-keto-3-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(=CC1OC2=O)I

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H]2C(=C[C@H]1OC2=O)I

InChI

InChI=1S/C9H9IO4/c1-13-8(11)5-2-4-6(10)3-7(5)14-9(4)12/h3-5,7H,2H2,1H3/t4-,5-,7-/m1/s1