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

Systemtic Name: 2-[3-(butanoylamino)-2,4,6-tris(iodanyl)phenyl]propanoic acid Openeye Name: 2-[3-(butanoylamino)-2,4,6-triiodo-phenyl]propanoic acid CAS Name: 2-[2,4,6-triiodo-3-(1-oxobutylamino)phenyl]propanoic acid IUPAC Name: 2-[3-(butanoylamino)-2,4,6-triiodophenyl]propanoic acid Traditional Name: 2-(3-butyramido-2,4,6-triiodo-phenyl)propionic acid Formula: C13H14I3NO3 MolecularWeight: 612.96857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14I3NO3/c1-3-4-9(18)17-12-8(15)5-7(14)10(11(12)16)6(2)13(19)20/h5-6H,3-4H2,1-2H3,(H,17,18)(H,19,20)