sodium 2-[2,4,6-tris(iodanyl)-3-(3-oxidanylidenemorpholin-4-yl)phenyl]propanoate

Systemtic Name: sodium 2-[2,4,6-tris(iodanyl)-3-(3-oxidanylidenemorpholin-4-yl)phenyl]propanoate Openeye Name: sodium 2-[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]propanoate CAS Name: sodium 2-[2,4,6-triiodo-3-(3-oxo-4-morpholinyl)phenyl]propanoate IUPAC Name: sodium 2-[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]propanoate Traditional Name: sodium 2-[2,4,6-triiodo-3-(3-ketomorpholino)phenyl]propionate Formula: C13H11I3NNaO4 MolecularWeight: 648.93392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C=C1I)I)N2CCOCC2=O)I)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C1=C(C(=C(C=C1I)I)N2CCOCC2=O)I)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H12I3NO4.Na/c1-6(13(19)20)10-7(14)4-8(15)12(11(10)16)17-2-3-21-5-9(17)18;/h4,6H,2-3,5H2,1H3,(H,19,20);/q;+1/p-1