2-[2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]ethoxy]ethanoic acid

Systemtic Name: 2-[2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]ethoxy]ethanoic acid Openeye Name: 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]acetic acid CAS Name: 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]acetic acid IUPAC Name: 2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxy]acetic acid Traditional Name: 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxy]acetic acid Formula: C12H12I3NO5 MolecularWeight: 630.94079

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C=C1I)I)OCCOCC(=O)O)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C=C1I)I)OCCOCC(=O)O)I

InChI

InChI=1S/C12H12I3NO5/c1-6(17)16-11-7(13)4-8(14)12(10(11)15)21-3-2-20-5-9(18)19/h4H,2-3,5H2,1H3,(H,16,17)(H,18,19)