(6-ethoxy-6-oxidanylidene-hexyl) 3-acetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (6-ethoxy-6-oxidanylidene-hexyl) 3-acetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (6-ethoxy-6-oxo-hexyl) 3-acetamido-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-2,4,6-triiodobenzoic acid (6-ethoxy-6-oxohexyl) ester IUPAC Name: (6-ethoxy-6-oxohexyl) 3-acetamido-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-2,4,6-triiodo-benzoic acid (6-ethoxy-6-keto-hexyl) ester Formula: C17H20I3NO5 MolecularWeight: 699.05781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20I3NO5/c1-3-25-13(23)7-5-4-6-8-26-17(24)14-11(18)9-12(19)16(15(14)20)21-10(2)22/h9H,3-8H2,1-2H3,(H,21,22)