2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[3-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodophenoxy]-2-phenylacetic acid IUPAC Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodophenoxy]-2-phenylacetic acid Traditional Name: 2-[3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-phenoxy]-2-phenyl-acetic acid Formula: C17H14I3NO5 MolecularWeight: 693.01017

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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

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)OC2=C(C=C(C(=C2I)C(=O)NCCO)I)I

InChI

InChI=1S/C17H14I3NO5/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)