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

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-(propanoylamino)benzoic acid Openeye Name: 3-acetamido-2,4,6-triiodo-5-(propanoylamino)benzoic acid CAS Name: 3-acetamido-2,4,6-triiodo-5-(1-oxopropylamino)benzoic acid IUPAC Name: 3-acetamido-2,4,6-triiodo-5-(propanoylamino)benzoic acid Traditional Name: 3-acetamido-2,4,6-triiodo-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)NC(=O)C)I)C(=O)O)I

Isomeric SMILES

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

InChI

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