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

Systemtic Name: 2,3-bis(oxidanyl)propyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: 2,3-dihydroxypropyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid glyceryl ester Formula: C14H15I3N2O6 MolecularWeight: 687.99211

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC(CO)O)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC(CO)O)I)NC(=O)C)I

InChI

InChI=1S/C14H15I3N2O6/c1-5(21)18-12-9(15)8(14(24)25-4-7(23)3-20)10(16)13(11(12)17)19-6(2)22/h7,20,23H,3-4H2,1-2H3,(H,18,21)(H,19,22)