(7-ethoxy-7-oxidanylidene-heptyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (7-ethoxy-7-oxidanylidene-heptyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (7-ethoxy-7-oxo-heptyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (7-ethoxy-7-oxoheptyl) ester IUPAC Name: (7-ethoxy-7-oxoheptyl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (7-ethoxy-7-keto-heptyl) ester Formula: C20H25I3N2O6 MolecularWeight: 770.13571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25I3N2O6/c1-4-30-13(28)9-7-5-6-8-10-31-20(29)14-15(21)18(24-11(2)26)17(23)19(16(14)22)25-12(3)27/h4-10H2,1-3H3,(H,24,26)(H,25,27)