2-phenyl-2-[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]ethanoic acid

Systemtic Name: 2-phenyl-2-[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]ethanoic acid Openeye Name: 2-phenyl-2-[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenoxy]acetic acid CAS Name: 2-phenyl-2-[2,4,6-triiodo-3-(2-oxo-1-pyrrolidinyl)phenoxy]acetic acid IUPAC Name: 2-phenyl-2-[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenoxy]acetic acid Traditional Name: 2-phenyl-2-[2,4,6-triiodo-3-(2-ketopyrrolidino)phenoxy]acetic acid Formula: C18H14I3NO4 MolecularWeight: 689.02147

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C(=C(C=C2I)I)OC(C3=CC=CC=C3)C(=O)O)I

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C(=C(C=C2I)I)OC(C3=CC=CC=C3)C(=O)O)I

InChI

InChI=1S/C18H14I3NO4/c19-11-9-12(20)17(14(21)15(11)22-8-4-7-13(22)23)26-16(18(24)25)10-5-2-1-3-6-10/h1-3,5-6,9,16H,4,7-8H2,(H,24,25)