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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I)C(=O)[O-].[Na+]

Isomeric SMILES

CC(COCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H16I3NO5.Na/c1-7(14(20)21)6-22-3-4-23-13-10(16)5-9(15)12(11(13)17)18-8(2)19;/h5,7H,3-4,6H2,1-2H3,(H,18,19)(H,20,21);/q;+1/p-1