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

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-(2-oxidanylpropylcarbamoyl)benzoic acid Openeye Name: 3-acetamido-5-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[(2-hydroxypropylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-(2-hydroxypropylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C13H13I3N2O5 MolecularWeight: 657.96613

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I)O

Isomeric SMILES

CC(CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I)O

InChI

InChI=1S/C13H13I3N2O5/c1-4(19)3-17-12(21)6-8(14)7(13(22)23)10(16)11(9(6)15)18-5(2)20/h4,19H,3H2,1-2H3,(H,17,21)(H,18,20)(H,22,23)