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

Systemtic Name: sodium 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]-2-phenyl-ethanoate Openeye Name: sodium 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]-2-phenyl-acetate CAS Name: sodium 2-[3-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodophenoxy]-2-phenylacetate IUPAC Name: sodium 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodophenoxy]-2-phenylacetate Traditional Name: sodium 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]-2-phenyl-acetate Formula: C17H13I3NNaO5 MolecularWeight: 714.992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])OC2=C(C=C(C(=C2I)C(=O)NCCO)I)I.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)[O-])OC2=C(C=C(C(=C2I)C(=O)NCCO)I)I.[Na+]

InChI

InChI=1S/C17H14I3NO5.Na/c18-10-8-11(19)15(13(20)12(10)16(23)21-6-7-22)26-14(17(24)25)9-4-2-1-3-5-9;/h1-5,8,14,22H,6-7H2,(H,21,23)(H,24,25);/q;+1/p-1