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

Systemtic Name: 3-acetamido-5-(carboxymethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-(carboxymethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[(carboxymethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-(carboxymethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(carboxymethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C12H9I3N2O6 MolecularWeight: 657.92307

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCC(=O)O)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCC(=O)O)I

InChI

InChI=1S/C12H9I3N2O6/c1-3(18)17-10-8(14)5(11(21)16-2-4(19)20)7(13)6(9(10)15)12(22)23/h2H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)