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

Systemtic Name: 3-acetamido-5-[2-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-[2-(2-hydroxyethylamino)-2-oxo-ethyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[2-(2-hydroxyethylamino)-2-keto-ethyl]-2,4,6-triiodo-benzoic acid Formula: C13H13I3N2O5 MolecularWeight: 657.96613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13I3N2O5/c1-5(20)18-12-10(15)6(4-7(21)17-2-3-19)9(14)8(11(12)16)13(22)23/h19H,2-4H2,1H3,(H,17,21)(H,18,20)(H,22,23)