(1,2-diethoxy-2-oxidanylidene-ethyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (1,2-diethoxy-2-oxidanylidene-ethyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (1,2-diethoxy-2-oxo-ethyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (1,2-diethoxy-2-oxoethyl) ester IUPAC Name: (1,2-diethoxy-2-oxoethyl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (1,2-diethoxy-2-keto-ethyl) ester Formula: C17H19I3N2O7 MolecularWeight: 744.05537

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCOC(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C17H19I3N2O7/c1-5-27-16(26)17(28-6-2)29-15(25)9-10(18)13(21-7(3)23)12(20)14(11(9)19)22-8(4)24/h17H,5-6H2,1-4H3,(H,21,23)(H,22,24)