(6-oxidanylidene-6-phenylmethoxy-hexyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (6-oxidanylidene-6-phenylmethoxy-hexyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (6-benzyloxy-6-oxo-hexyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (6-oxo-6-phenylmethoxyhexyl) ester IUPAC Name: (6-oxo-6-phenylmethoxyhexyl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (6-benzoxy-6-keto-hexyl) ester Formula: C24H25I3N2O6 MolecularWeight: 818.17851

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCCCCCC(=O)OCC2=CC=CC=C2)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCCCCCC(=O)OCC2=CC=CC=C2)I)NC(=O)C)I

InChI

InChI=1S/C24H25I3N2O6/c1-14(30)28-22-19(25)18(20(26)23(21(22)27)29-15(2)31)24(33)34-12-8-4-7-11-17(32)35-13-16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H,28,30)(H,29,31)