5-methyl-4-oxidanylidene-2-[[2,4,6-tris(iodanyl)-3-methoxy-phenyl]carbonylamino]hexanoic acid

Systemtic Name: 5-methyl-4-oxidanylidene-2-[[2,4,6-tris(iodanyl)-3-methoxy-phenyl]carbonylamino]hexanoic acid Openeye Name: 5-methyl-4-oxo-2-[(2,4,6-triiodo-3-methoxy-benzoyl)amino]hexanoic acid CAS Name: 5-methyl-4-oxo-2-[[oxo-(2,4,6-triiodo-3-methoxyphenyl)methyl]amino]hexanoic acid IUPAC Name: 5-methyl-4-oxo-2-[(2,4,6-triiodo-3-methoxybenzoyl)amino]hexanoic acid Traditional Name: 4-keto-5-methyl-2-[(2,4,6-triiodo-3-methoxy-benzoyl)amino]hexanoic acid Formula: C15H16I3NO5 MolecularWeight: 671.00465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(C(=O)O)NC(=O)C1=C(C(=C(C=C1I)I)OC)I

Isomeric SMILES

CC(C)C(=O)CC(C(=O)O)NC(=O)C1=C(C(=C(C=C1I)I)OC)I

InChI

InChI=1S/C15H16I3NO5/c1-6(2)10(20)5-9(15(22)23)19-14(21)11-7(16)4-8(17)13(24-3)12(11)18/h4,6,9H,5H2,1-3H3,(H,19,21)(H,22,23)