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

Systemtic Name: 2,4,6-tris(iodanyl)-3,5-bis(propanoylamino)benzoic acid Openeye Name: 2,4,6-triiodo-3,5-bis(propanoylamino)benzoic acid CAS Name: 2,4,6-triiodo-3,5-bis(1-oxopropylamino)benzoic acid IUPAC Name: 2,4,6-triiodo-3,5-bis(propanoylamino)benzoic acid Traditional Name: 2,4,6-triiodo-3,5-dipropionamido-benzoic acid Formula: C13H13I3N2O4 MolecularWeight: 641.96673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CC)I

Isomeric SMILES

CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CC)I

InChI

InChI=1S/C13H13I3N2O4/c1-3-5(19)17-11-8(14)7(13(21)22)9(15)12(10(11)16)18-6(20)4-2/h3-4H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)