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

Systemtic Name: sodium 2-phenyl-2-[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]ethanoate Openeye Name: sodium 2-phenyl-2-[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenoxy]acetate CAS Name: sodium 2-phenyl-2-[2,4,6-triiodo-3-(2-oxo-1-pyrrolidinyl)phenoxy]acetate IUPAC Name: sodium 2-phenyl-2-[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenoxy]acetate Traditional Name: sodium 2-phenyl-2-[2,4,6-triiodo-3-(2-ketopyrrolidino)phenoxy]acetate Formula: C18H13I3NNaO4 MolecularWeight: 711.0033

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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.[Na+]

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C(=C(C=C2I)I)OC(C3=CC=CC=C3)C(=O)[O-])I.[Na+]

InChI

InChI=1S/C18H14I3NO4.Na/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);/q;+1/p-1