3-acetamido-5-cyano-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-acetamido-5-cyano-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-cyano-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-cyano-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-cyano-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-cyano-2,4,6-triiodo-benzoic acid Formula: C10H5I3N2O3 MolecularWeight: 581.87171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C#N)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C#N)I

InChI

InChI=1S/C10H5I3N2O3/c1-3(16)15-9-7(12)4(2-14)6(11)5(8(9)13)10(17)18/h1H3,(H,15,16)(H,17,18)