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

Systemtic Name: 6-[2,3,4-tris(iodanyl)phenyl]octanoic acid Openeye Name: 6-(2,3,4-triiodophenyl)octanoic acid CAS Name: 6-(2,3,4-triiodophenyl)octanoic acid IUPAC Name: 6-(2,3,4-triiodophenyl)octanoic acid Traditional Name: 6-(2,3,4-triiodophenyl)caprylic acid Formula: C14H17I3O2 MolecularWeight: 597.99699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(=O)O)C1=C(C(=C(C=C1)I)I)I

Isomeric SMILES

CCC(CCCCC(=O)O)C1=C(C(=C(C=C1)I)I)I

InChI

InChI=1S/C14H17I3O2/c1-2-9(5-3-4-6-12(18)19)10-7-8-11(15)14(17)13(10)16/h7-9H,2-6H2,1H3,(H,18,19)