3-(2-chloranylethanoylamino)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(2-chloranylethanoylamino)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[(2-chloroacetyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[(2-chloro-1-oxoethyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[(2-chloroacetyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[(2-chloroacetyl)amino]-2,4,6-triiodo-benzoic acid Formula: C9H5ClI3NO3 MolecularWeight: 591.30731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)NC(=O)CCl)I)C(=O)O)I

Isomeric SMILES

C1=C(C(=C(C(=C1I)NC(=O)CCl)I)C(=O)O)I

InChI

InChI=1S/C9H5ClI3NO3/c10-2-5(15)14-8-4(12)1-3(11)6(7(8)13)9(16)17/h1H,2H2,(H,14,15)(H,16,17)