2,3-bis(oxidanyl)propyl 3-acetamido-5-(acetamidomethyl)-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 2,3-bis(oxidanyl)propyl 3-acetamido-5-(acetamidomethyl)-2,4,6-tris(iodanyl)benzoate Openeye Name: 2,3-dihydroxypropyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoic acid glyceryl ester Formula: C15H17I3N2O6 MolecularWeight: 702.01869

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)OCC(CO)O)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)OCC(CO)O)I)NC(=O)C)I

InChI

InChI=1S/C15H17I3N2O6/c1-6(22)19-3-9-11(16)10(15(25)26-5-8(24)4-21)13(18)14(12(9)17)20-7(2)23/h8,21,24H,3-5H2,1-2H3,(H,19,22)(H,20,23)