sodium 4-[2,4,6-tris(iodanyl)-3-(methylcarbamoyl)phenoxy]butanoate

Systemtic Name: sodium 4-[2,4,6-tris(iodanyl)-3-(methylcarbamoyl)phenoxy]butanoate Openeye Name: sodium 4-[2,4,6-triiodo-3-(methylcarbamoyl)phenoxy]butanoate CAS Name: sodium 4-[2,4,6-triiodo-3-(methylcarbamoyl)phenoxy]butanoate IUPAC Name: sodium 4-[2,4,6-triiodo-3-(methylcarbamoyl)phenoxy]butanoate Traditional Name: sodium 4-[2,4,6-triiodo-3-(methylcarbamoyl)phenoxy]butyrate Formula: C12H11I3NNaO4 MolecularWeight: 636.92322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C=C1I)I)OCCCC(=O)[O-])I.[Na+]

Isomeric SMILES

CNC(=O)C1=C(C(=C(C=C1I)I)OCCCC(=O)[O-])I.[Na+]

InChI

InChI=1S/C12H12I3NO4.Na/c1-16-12(19)9-6(13)5-7(14)11(10(9)15)20-4-2-3-8(17)18;/h5H,2-4H2,1H3,(H,16,19)(H,17,18);/q;+1/p-1