3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2,4,6-tris(iodanyl)phenyl]propanoic acid

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2,4,6-tris(iodanyl)phenyl]propanoic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)-2,4,6-triiodo-phenyl]propanoic acid CAS Name: 3-[3-(2-amino-2-oxoethyl)-2,4,6-triiodophenyl]propanoic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-2,4,6-triiodophenyl]propanoic acid Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-2,4,6-triiodo-phenyl]propionic acid Formula: C11H10I3NO3 MolecularWeight: 584.91541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)CCC(=O)O)I)CC(=O)N)I

Isomeric SMILES

C1=C(C(=C(C(=C1I)CCC(=O)O)I)CC(=O)N)I

InChI

InChI=1S/C11H10I3NO3/c12-7-4-8(13)6(3-9(15)16)11(14)5(7)1-2-10(17)18/h4H,1-3H2,(H2,15,16)(H,17,18)