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

Systemtic Name: 3-[3-formamido-2,4,6-tris(iodanyl)phenyl]pentanoic acid Openeye Name: 3-(3-formamido-2,4,6-triiodo-phenyl)pentanoic acid CAS Name: 3-(3-formamido-2,4,6-triiodophenyl)pentanoic acid IUPAC Name: 3-(3-formamido-2,4,6-triiodophenyl)pentanoic acid Traditional Name: 3-(3-formamido-2,4,6-triiodo-phenyl)valeric acid Formula: C12H12I3NO3 MolecularWeight: 598.94199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)C1=C(C(=C(C=C1I)I)NC=O)I

Isomeric SMILES

CCC(CC(=O)O)C1=C(C(=C(C=C1I)I)NC=O)I

InChI

InChI=1S/C12H12I3NO3/c1-2-6(3-9(18)19)10-7(13)4-8(14)12(11(10)15)16-5-17/h4-6H,2-3H2,1H3,(H,16,17)(H,18,19)