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

Systemtic Name: 5-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxypentanoic acid Openeye Name: 5-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxypentanoic acid CAS Name: 5-[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethoxy]pentanoic acid IUPAC Name: 5-(3,5-diacetamido-2,4,6-triiodobenzoyl)oxypentanoic acid Traditional Name: 5-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxyvaleric acid Formula: C16H17I3N2O6 MolecularWeight: 714.02939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17I3N2O6/c1-7(22)20-14-11(17)10(12(18)15(13(14)19)21-8(2)23)16(26)27-6-4-3-5-9(24)25/h3-6H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)