7-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxyheptanoic acid

Systemtic Name: 7-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxyheptanoic acid Openeye Name: 7-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxyheptanoic acid CAS Name: 7-[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethoxy]heptanoic acid IUPAC Name: 7-(3,5-diacetamido-2,4,6-triiodobenzoyl)oxyheptanoic acid Traditional Name: 7-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxyenanthic acid Formula: C18H21I3N2O6 MolecularWeight: 742.08255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21I3N2O6/c1-9(24)22-16-13(19)12(14(20)17(15(16)21)23-10(2)25)18(28)29-8-6-4-3-5-7-11(26)27/h3-8H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)