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

Systemtic Name: sodium 2-phenyl-3-[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepiperidin-1-yl)phenyl]propanoate Openeye Name: sodium 2-phenyl-3-[2,4,6-triiodo-3-(2-oxo-1-piperidyl)phenyl]propanoate CAS Name: sodium 2-phenyl-3-[2,4,6-triiodo-3-(2-oxo-1-piperidinyl)phenyl]propanoate IUPAC Name: sodium 2-phenyl-3-[2,4,6-triiodo-3-(2-oxopiperidin-1-yl)phenyl]propanoate Traditional Name: sodium 2-phenyl-3-[2,4,6-triiodo-3-(2-ketopiperidino)phenyl]propionate Formula: C20H17I3NNaO3 MolecularWeight: 723.05706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18I3NO3.Na/c21-15-11-16(22)19(24-9-5-4-8-17(24)25)18(23)14(15)10-13(20(26)27)12-6-2-1-3-7-12;/h1-3,6-7,11,13H,4-5,8-10H2,(H,26,27);/q;+1/p-1