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

Systemtic Name: 4-[3-cyano-2,4,6-tris(iodanyl)phenyl]-2-methyl-butanoic acid Openeye Name: 4-(3-cyano-2,4,6-triiodo-phenyl)-2-methyl-butanoic acid CAS Name: 4-(3-cyano-2,4,6-triiodophenyl)-2-methylbutanoic acid IUPAC Name: 4-(3-cyano-2,4,6-triiodophenyl)-2-methylbutanoic acid Traditional Name: 4-(3-cyano-2,4,6-triiodo-phenyl)-2-methyl-butyric acid Formula: C12H10I3NO2 MolecularWeight: 580.92671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=C(C(=C1I)C#N)I)I)C(=O)O

Isomeric SMILES

CC(CCC1=C(C=C(C(=C1I)C#N)I)I)C(=O)O

InChI

InChI=1S/C12H10I3NO2/c1-6(12(17)18)2-3-7-9(13)4-10(14)8(5-16)11(7)15/h4,6H,2-3H2,1H3,(H,17,18)