3-acetamido-2,4,6-tris(iodanyl)-5-[2-(methylamino)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-[2-(methylamino)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 3-acetamido-2,4,6-triiodo-5-[2-(methylamino)-2-oxo-ethyl]benzoic acid CAS Name: 3-acetamido-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethyl]benzoic acid IUPAC Name: 3-acetamido-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethyl]benzoic acid Traditional Name: 3-acetamido-2,4,6-triiodo-5-[2-keto-2-(methylamino)ethyl]benzoic acid Formula: C12H11I3N2O4 MolecularWeight: 627.94015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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