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

Systemtic Name: 2-[[3-acetamido-2,4,6-tris(iodanyl)phenyl]methyl]butanoic acid Openeye Name: 2-[(3-acetamido-2,4,6-triiodo-phenyl)methyl]butanoic acid CAS Name: 2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanoic acid IUPAC Name: 2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanoic acid Traditional Name: 2-(3-acetamido-2,4,6-triiodo-benzyl)butyric acid Formula: C13H14I3NO3 MolecularWeight: 612.96857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O

Isomeric SMILES

CCC(CC1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O

InChI

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