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

Systemtic Name: 3-acetamido-5-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-(2,3-diacetoxypropylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[(2,3-diacetyloxypropylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(2,3-diacetoxypropylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C17H17I3N2O8 MolecularWeight: 758.03889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17I3N2O8/c1-6(23)22-15-13(19)10(12(18)11(14(15)20)17(27)28)16(26)21-4-9(30-8(3)25)5-29-7(2)24/h9H,4-5H2,1-3H3,(H,21,26)(H,22,23)(H,27,28)