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

Systemtic Name: 2-[3-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]propoxymethyl]butanoic acid Openeye Name: 2-[3-(3-acetamido-2,4,6-triiodo-phenoxy)propoxymethyl]butanoic acid CAS Name: 2-[3-(3-acetamido-2,4,6-triiodophenoxy)propoxymethyl]butanoic acid IUPAC Name: 2-[3-(3-acetamido-2,4,6-triiodophenoxy)propoxymethyl]butanoic acid Traditional Name: 2-[3-(3-acetamido-2,4,6-triiodo-phenoxy)propoxymethyl]butyric acid Formula: C16H20I3NO5 MolecularWeight: 687.04711

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I)C(=O)O

Isomeric SMILES

CCC(COCCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I)C(=O)O

InChI

InChI=1S/C16H20I3NO5/c1-3-10(16(22)23)8-24-5-4-6-25-15-12(18)7-11(17)14(13(15)19)20-9(2)21/h7,10H,3-6,8H2,1-2H3,(H,20,21)(H,22,23)