6-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxyhexanoic acid

Systemtic Name: 6-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxyhexanoic acid Openeye Name: 6-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxyhexanoic acid CAS Name: 6-[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethoxy]hexanoic acid IUPAC Name: 6-(3,5-diacetamido-2,4,6-triiodobenzoyl)oxyhexanoic acid Traditional Name: 6-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxyhexanoic acid Formula: C17H19I3N2O6 MolecularWeight: 728.05597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19I3N2O6/c1-8(23)21-15-12(18)11(13(19)16(14(15)20)22-9(2)24)17(27)28-7-5-3-4-6-10(25)26/h3-7H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)