2-oxidanylidenepropyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 2-oxidanylidenepropyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: acetonyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid acetonyl ester Formula: C14H13I3N2O5 MolecularWeight: 669.97683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13I3N2O5/c1-5(20)4-24-14(23)8-9(15)12(18-6(2)21)11(17)13(10(8)16)19-7(3)22/h4H2,1-3H3,(H,18,21)(H,19,22)