2-[[2,4,6-tris(iodanyl)phenyl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[2,4,6-tris(iodanyl)phenyl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[(2,4,6-triiodobenzoyl)amino]ethanesulfonic acid CAS Name: 2-[[oxo-(2,4,6-triiodophenyl)methyl]amino]ethanesulfonic acid IUPAC Name: 2-[(2,4,6-triiodobenzoyl)amino]ethanesulfonic acid Traditional Name: 2-[(2,4,6-triiodobenzoyl)amino]ethanesulfonic acid Formula: C9H8I3NO4S MolecularWeight: 606.94253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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