(8-ethoxy-8-oxidanylidene-octyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (8-ethoxy-8-oxidanylidene-octyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (8-ethoxy-8-oxo-octyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (8-ethoxy-8-oxooctyl) ester IUPAC Name: (8-ethoxy-8-oxooctyl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (8-ethoxy-8-keto-octyl) ester Formula: C21H27I3N2O6 MolecularWeight: 784.16229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27I3N2O6/c1-4-31-14(29)10-8-6-5-7-9-11-32-21(30)15-16(22)19(25-12(2)27)18(24)20(17(15)23)26-13(3)28/h4-11H2,1-3H3,(H,25,27)(H,26,28)