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

Systemtic Name: 2,4,6-tris(iodanyl)-3-(methylcarbamoyl)-5-(propanoylamino)benzoic acid Openeye Name: 2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoic acid CAS Name: 2,4,6-triiodo-3-(methylcarbamoyl)-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoic acid Traditional Name: 2,4,6-triiodo-3-(methylcarbamoyl)-5-propionamido-benzoic acid Formula: C12H11I3N2O4 MolecularWeight: 627.94015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11I3N2O4/c1-3-4(18)17-10-8(14)5(11(19)16-2)7(13)6(9(10)15)12(20)21/h3H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)