3-acetamido-2,4,6-tris(iodanyl)-5-propoxycarbonyl-benzoate

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-propoxycarbonyl-benzoate Openeye Name: 3-acetamido-2,4,6-triiodo-5-propoxycarbonyl-benzoate CAS Name: 3-acetamido-2,4,6-triiodo-5-[oxo(propoxy)methyl]benzoate IUPAC Name: 3-acetamido-2,4,6-triiodo-5-propoxycarbonylbenzoate Traditional Name: 3-acetamido-2,4,6-triiodo-5-propoxycarbonyl-benzoate Formula: C13H11I3NO5- MolecularWeight: 641.94355

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I

Isomeric SMILES

CCCOC(=O)C1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I

InChI

InChI=1S/C13H12I3NO5/c1-3-4-22-13(21)7-8(14)6(12(19)20)9(15)11(10(7)16)17-5(2)18/h3-4H2,1-2H3,(H,17,18)(H,19,20)/p-1