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

Systemtic Name: sodium 2-phenyl-2-[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepiperidin-1-yl)phenoxy]ethanoate Openeye Name: sodium 2-phenyl-2-[2,4,6-triiodo-3-(2-oxo-1-piperidyl)phenoxy]acetate CAS Name: sodium 2-phenyl-2-[2,4,6-triiodo-3-(2-oxo-1-piperidinyl)phenoxy]acetate IUPAC Name: sodium 2-phenyl-2-[2,4,6-triiodo-3-(2-oxopiperidin-1-yl)phenoxy]acetate Traditional Name: sodium 2-phenyl-2-[2,4,6-triiodo-3-(2-ketopiperidino)phenoxy]acetate Formula: C19H15I3NNaO4 MolecularWeight: 725.02988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=C(C(=C(C=C2I)I)OC(C3=CC=CC=C3)C(=O)[O-])I.[Na+]

Isomeric SMILES

C1CCN(C(=O)C1)C2=C(C(=C(C=C2I)I)OC(C3=CC=CC=C3)C(=O)[O-])I.[Na+]

InChI

InChI=1S/C19H16I3NO4.Na/c20-12-10-13(21)18(15(22)16(12)23-9-5-4-8-14(23)24)27-17(19(25)26)11-6-2-1-3-7-11;/h1-3,6-7,10,17H,4-5,8-9H2,(H,25,26);/q;+1/p-1