sodium 2-[[2,4,6-tris(iodanyl)phenyl]carbonylamino]ethanesulfonate

Systemtic Name: sodium 2-[[2,4,6-tris(iodanyl)phenyl]carbonylamino]ethanesulfonate Openeye Name: sodium 2-[(2,4,6-triiodobenzoyl)amino]ethanesulfonate CAS Name: sodium 2-[[oxo-(2,4,6-triiodophenyl)methyl]amino]ethanesulfonate IUPAC Name: sodium 2-[(2,4,6-triiodobenzoyl)amino]ethanesulfonate Traditional Name: sodium 2-[(2,4,6-triiodobenzoyl)amino]ethanesulfonate Formula: C9H7I3NNaO4S MolecularWeight: 628.92436

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)C(=O)NCCS(=O)(=O)[O-])I)I.[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1I)C(=O)NCCS(=O)(=O)[O-])I)I.[Na+]

InChI

InChI=1S/C9H8I3NO4S.Na/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);/q;+1/p-1