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

Systemtic Name: sodium 2-[3-(dimethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]-2-phenyl-ethanoate Openeye Name: sodium 2-[3-(dimethylcarbamoyl)-2,4,6-triiodo-phenoxy]-2-phenyl-acetate CAS Name: sodium 2-[3-[dimethylamino(oxo)methyl]-2,4,6-triiodophenoxy]-2-phenylacetate IUPAC Name: sodium 2-[3-(dimethylcarbamoyl)-2,4,6-triiodophenoxy]-2-phenylacetate Traditional Name: sodium 2-[3-(dimethylcarbamoyl)-2,4,6-triiodo-phenoxy]-2-phenyl-acetate Formula: C17H13I3NNaO4 MolecularWeight: 698.9926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C(=C(C=C1I)I)OC(C2=CC=CC=C2)C(=O)[O-])I.[Na+]

Isomeric SMILES

CN(C)C(=O)C1=C(C(=C(C=C1I)I)OC(C2=CC=CC=C2)C(=O)[O-])I.[Na+]

InChI

InChI=1S/C17H14I3NO4.Na/c1-21(2)16(22)12-10(18)8-11(19)15(13(12)20)25-14(17(23)24)9-6-4-3-5-7-9;/h3-8,14H,1-2H3,(H,23,24);/q;+1/p-1