(6-ethoxy-5-methyl-6-oxidanylidene-hexyl) 3-acetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (6-ethoxy-5-methyl-6-oxidanylidene-hexyl) 3-acetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (6-ethoxy-5-methyl-6-oxo-hexyl) 3-acetamido-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-2,4,6-triiodobenzoic acid (6-ethoxy-5-methyl-6-oxohexyl) ester IUPAC Name: (6-ethoxy-5-methyl-6-oxohexyl) 3-acetamido-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-2,4,6-triiodo-benzoic acid (6-ethoxy-6-keto-5-methyl-hexyl) ester Formula: C18H22I3NO5 MolecularWeight: 713.08439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22I3NO5/c1-4-26-17(24)10(2)7-5-6-8-27-18(25)14-12(19)9-13(20)16(15(14)21)22-11(3)23/h9-10H,4-8H2,1-3H3,(H,22,23)