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

Systemtic Name: sodium 2-[2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]ethoxy]-2-phenyl-ethanoate Openeye Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]-2-phenyl-acetate CAS Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]-2-phenylacetate IUPAC Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]-2-phenylacetate Traditional Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]-2-phenyl-acetate Formula: C18H15I3NNaO5 MolecularWeight: 729.01858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C=C1I)I)OCCOC(C2=CC=CC=C2)C(=O)[O-])I.[Na+]

Isomeric SMILES

CC(=O)NC1=C(C(=C(C=C1I)I)OCCOC(C2=CC=CC=C2)C(=O)[O-])I.[Na+]

InChI

InChI=1S/C18H16I3NO5.Na/c1-10(23)22-15-12(19)9-13(20)17(14(15)21)27-8-7-26-16(18(24)25)11-5-3-2-4-6-11;/h2-6,9,16H,7-8H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1