2,4,6-tris(iodanyl)-3,5-bis(2-oxidanylidenepropylamino)benzoic acid

Systemtic Name: 2,4,6-tris(iodanyl)-3,5-bis(2-oxidanylidenepropylamino)benzoic acid Openeye Name: 3,5-bis(acetonylamino)-2,4,6-triiodo-benzoic acid CAS Name: 2,4,6-triiodo-3,5-bis(2-oxopropylamino)benzoic acid IUPAC Name: 2,4,6-triiodo-3,5-bis(2-oxopropylamino)benzoic acid Traditional Name: 3,5-bis(acetonylamino)-2,4,6-triiodo-benzoic acid Formula: C13H13I3N2O4 MolecularWeight: 641.96673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC1=C(C(=C(C(=C1I)C(=O)O)I)NCC(=O)C)I

Isomeric SMILES

CC(=O)CNC1=C(C(=C(C(=C1I)C(=O)O)I)NCC(=O)C)I

InChI

InChI=1S/C13H13I3N2O4/c1-5(19)3-17-11-8(14)7(13(21)22)9(15)12(10(11)16)18-4-6(2)20/h17-18H,3-4H2,1-2H3,(H,21,22)