(1-ethoxy-1-oxidanylidene-propan-2-yl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (1-ethoxy-1-oxidanylidene-propan-2-yl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (2-ethoxy-1-methyl-2-oxo-ethyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (1-ethoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxopropan-2-yl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (2-ethoxy-2-keto-1-methyl-ethyl) ester Formula: C16H17I3N2O6 MolecularWeight: 714.02939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17I3N2O6/c1-5-26-15(24)6(2)27-16(25)9-10(17)13(20-7(3)22)12(19)14(11(9)18)21-8(4)23/h6H,5H2,1-4H3,(H,20,22)(H,21,23)