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

Systemtic Name: sodium 2-[2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]ethoxy]ethanoate Openeye Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]acetate CAS Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]acetate IUPAC Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]acetate Traditional Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]acetate Formula: C12H11I3NNaO5 MolecularWeight: 652.92262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12I3NO5.Na/c1-6(17)16-11-7(13)4-8(14)12(10(11)15)21-3-2-20-5-9(18)19;/h4H,2-3,5H2,1H3,(H,16,17)(H,18,19);/q;+1/p-1