2-[3-acetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxypropanedioic acid

Systemtic Name: 2-[3-acetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxypropanedioic acid Openeye Name: 2-(3-acetamido-2,4,6-triiodo-benzoyl)oxypropanedioic acid CAS Name: 2-[(3-acetamido-2,4,6-triiodophenyl)-oxomethoxy]propanedioic acid IUPAC Name: 2-(3-acetamido-2,4,6-triiodobenzoyl)oxypropanedioic acid Traditional Name: 2-(3-acetamido-2,4,6-triiodo-benzoyl)oxymalonic acid Formula: C12H8I3NO7 MolecularWeight: 658.90783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8I3NO7/c1-3(17)16-8-5(14)2-4(13)6(7(8)15)12(22)23-9(10(18)19)11(20)21/h2,9H,1H3,(H,16,17)(H,18,19)(H,20,21)