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

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-(2-oxidanylethanoylamino)benzoic acid Openeye Name: 3-acetamido-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[(2-hydroxy-1-oxoethyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(glycoloylamino)-2,4,6-triiodo-benzoic acid Formula: C11H9I3N2O5 MolecularWeight: 629.91297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CO)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CO)I

InChI

InChI=1S/C11H9I3N2O5/c1-3(18)15-9-6(12)5(11(20)21)7(13)10(8(9)14)16-4(19)2-17/h17H,2H2,1H3,(H,15,18)(H,16,19)(H,20,21)