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

Systemtic Name: sodium 2-[2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]ethoxy]butanoate Openeye Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]butanoate CAS Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]butanoate IUPAC Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]butanoate Traditional Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]butyrate Formula: C14H15I3NNaO5 MolecularWeight: 680.97578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16I3NO5.Na/c1-3-10(14(20)21)22-4-5-23-13-9(16)6-8(15)12(11(13)17)18-7(2)19;/h6,10H,3-5H2,1-2H3,(H,18,19)(H,20,21);/q;+1/p-1