sodium 2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]butanoic acid

Systemtic Name: sodium 2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]butanoic acid Openeye Name: sodium 2-(3-acetamido-2,4,6-triiodo-phenoxy)butanoic acid CAS Name: sodium 2-(3-acetamido-2,4,6-triiodophenoxy)butanoic acid IUPAC Name: sodium 2-(3-acetamido-2,4,6-triiodophenoxy)butanoic acid Traditional Name: sodium 2-(3-acetamido-2,4,6-triiodo-phenoxy)butyric acid Formula: C12H12I3NNaO4+ MolecularWeight: 637.93116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C=C(C(=C1I)NC(=O)C)I)I.[Na+]

Isomeric SMILES

CCC(C(=O)O)OC1=C(C=C(C(=C1I)NC(=O)C)I)I.[Na+]

InChI

InChI=1S/C12H12I3NO4.Na/c1-3-8(12(18)19)20-11-7(14)4-6(13)10(9(11)15)16-5(2)17;/h4,8H,3H2,1-2H3,(H,16,17)(H,18,19);/q;+1