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

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-(2-oxidanylidenepropylamino)benzoic acid Openeye Name: 3-acetamido-5-(acetonylamino)-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoic acid IUPAC Name: 3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoic acid Traditional Name: 3-acetamido-5-(acetonylamino)-2,4,6-triiodo-benzoic acid Formula: C12H11I3N2O4 MolecularWeight: 627.94015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11I3N2O4/c1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19/h16H,3H2,1-2H3,(H,17,19)(H,20,21)