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

Systemtic Name: 2-[3-(butanoylamino)-2,4,6-tris(iodanyl)phenyl]butanoic acid Openeye Name: 2-[3-(butanoylamino)-2,4,6-triiodo-phenyl]butanoic acid CAS Name: 2-[2,4,6-triiodo-3-(1-oxobutylamino)phenyl]butanoic acid IUPAC Name: 2-[3-(butanoylamino)-2,4,6-triiodophenyl]butanoic acid Traditional Name: 2-(3-butyramido-2,4,6-triiodo-phenyl)butyric acid Formula: C14H16I3NO3 MolecularWeight: 626.99515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16I3NO3/c1-3-5-10(19)18-13-9(16)6-8(15)11(12(13)17)7(4-2)14(20)21/h6-7H,3-5H2,1-2H3,(H,18,19)(H,20,21)