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

Systemtic Name: sodium 2-[2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]ethoxy]propanoate Openeye Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]propanoate CAS Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]propanoate IUPAC Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]propanoate Traditional Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]propionate Formula: C13H13I3NNaO5 MolecularWeight: 666.9492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I.[Na+]

InChI

InChI=1S/C13H14I3NO5.Na/c1-6(13(19)20)21-3-4-22-12-9(15)5-8(14)11(10(12)16)17-7(2)18;/h5-6H,3-4H2,1-2H3,(H,17,18)(H,19,20);/q;+1/p-1