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

Systemtic Name: (5-ethoxy-5-oxidanylidene-pentyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (5-ethoxy-5-oxo-pentyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (5-ethoxy-5-oxopentyl) ester IUPAC Name: (5-ethoxy-5-oxopentyl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (5-ethoxy-5-keto-pentyl) ester Formula: C18H21I3N2O6 MolecularWeight: 742.08255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21I3N2O6/c1-4-28-11(26)7-5-6-8-29-18(27)12-13(19)16(22-9(2)24)15(21)17(14(12)20)23-10(3)25/h4-8H2,1-3H3,(H,22,24)(H,23,25)