(2-ethoxy-2-oxidanylidene-ethyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (2-ethoxy-2-oxo-ethyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (2-ethoxy-2-oxoethyl) ester IUPAC Name: (2-ethoxy-2-oxoethyl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (2-ethoxy-2-keto-ethyl) ester Formula: C15H15I3N2O6 MolecularWeight: 700.00281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15I3N2O6/c1-4-25-8(23)5-26-15(24)9-10(16)13(19-6(2)21)12(18)14(11(9)17)20-7(3)22/h4-5H2,1-3H3,(H,19,21)(H,20,22)