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

Systemtic Name: 2-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxyethanoic acid Openeye Name: 2-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxyacetic acid CAS Name: 2-[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethoxy]acetic acid IUPAC Name: 2-(3,5-diacetamido-2,4,6-triiodobenzoyl)oxyacetic acid Traditional Name: 2-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxyacetic acid Formula: C13H11I3N2O6 MolecularWeight: 671.94965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11I3N2O6/c1-4(19)17-11-8(14)7(13(23)24-3-6(21)22)9(15)12(10(11)16)18-5(2)20/h3H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)