sodium 4-[[3,4,5-tris(iodanyl)phenyl]sulfonylamino]benzenesulfonic acid

Systemtic Name: sodium 4-[[3,4,5-tris(iodanyl)phenyl]sulfonylamino]benzenesulfonic acid Openeye Name: sodium 4-[(3,4,5-triiodophenyl)sulfonylamino]benzenesulfonic acid CAS Name: sodium 4-[(3,4,5-triiodophenyl)sulfonylamino]benzenesulfonic acid IUPAC Name: sodium 4-[(3,4,5-triiodophenyl)sulfonylamino]benzenesulfonic acid Traditional Name: sodium 4-[(3,4,5-triiodophenyl)sulfonylamino]besylic acid Formula: C12H8I3NNaO5S2+ MolecularWeight: 714.0288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C(=C2)I)I)I)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C(=C2)I)I)I)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H8I3NO5S2.Na/c13-10-5-9(6-11(14)12(10)15)22(17,18)16-7-1-3-8(4-2-7)23(19,20)21;/h1-6,16H,(H,19,20,21);/q;+1