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

Systemtic Name: 3-acetamido-5-(2-acetyloxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-(2-acetoxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[(2-acetyloxyethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-(2-acetyloxyethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(2-acetoxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C14H13I3N2O6 MolecularWeight: 685.97623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13I3N2O6/c1-5(20)19-12-10(16)7(9(15)8(11(12)17)14(23)24)13(22)18-3-4-25-6(2)21/h3-4H2,1-2H3,(H,18,22)(H,19,20)(H,23,24)