2-[[3,4,5-tris(iodanyl)phenyl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[3,4,5-tris(iodanyl)phenyl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[(3,4,5-triiodobenzoyl)amino]ethanesulfonic acid CAS Name: 2-[[oxo-(3,4,5-triiodophenyl)methyl]amino]ethanesulfonic acid IUPAC Name: 2-[(3,4,5-triiodobenzoyl)amino]ethanesulfonic acid Traditional Name: 2-[(3,4,5-triiodobenzoyl)amino]ethanesulfonic acid Formula: C9H8I3NO4S MolecularWeight: 606.94253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)I)I)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1I)I)I)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C9H8I3NO4S/c10-6-3-5(4-7(11)8(6)12)9(14)13-1-2-18(15,16)17/h3-4H,1-2H2,(H,13,14)(H,15,16,17)