2-[3-(butanoylamino)-2,4,6-tris(iodanyl)phenoxy]propanoic acid

Systemtic Name: 2-[3-(butanoylamino)-2,4,6-tris(iodanyl)phenoxy]propanoic acid Openeye Name: 2-[3-(butanoylamino)-2,4,6-triiodo-phenoxy]propanoic acid CAS Name: 2-[2,4,6-triiodo-3-(1-oxobutylamino)phenoxy]propanoic acid IUPAC Name: 2-[3-(butanoylamino)-2,4,6-triiodophenoxy]propanoic acid Traditional Name: 2-(3-butyramido-2,4,6-triiodo-phenoxy)propionic acid Formula: C13H14I3NO4 MolecularWeight: 628.96797

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(C=C1I)I)OC(C)C(=O)O)I

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(C=C1I)I)OC(C)C(=O)O)I

InChI

InChI=1S/C13H14I3NO4/c1-3-4-9(18)17-11-7(14)5-8(15)12(10(11)16)21-6(2)13(19)20/h5-6H,3-4H2,1-2H3,(H,17,18)(H,19,20)