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

Systemtic Name: sodium 2-[2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]ethoxymethyl]butanoate Openeye Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxymethyl]butanoate CAS Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxymethyl]butanoate IUPAC Name: sodium 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxymethyl]butanoate Traditional Name: sodium 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxymethyl]butyrate Formula: C15H17I3NNaO5 MolecularWeight: 695.00236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18I3NO5.Na/c1-3-9(15(21)22)7-23-4-5-24-14-11(17)6-10(16)13(12(14)18)19-8(2)20;/h6,9H,3-5,7H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1