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

Systemtic Name: sodium 4-[[3,5-bis(iodanyl)phenyl]sulfonylamino]benzenesulfonic acid Openeye Name: sodium 4-[(3,5-diiodophenyl)sulfonylamino]benzenesulfonic acid CAS Name: sodium 4-[(3,5-diiodophenyl)sulfonylamino]benzenesulfonic acid IUPAC Name: sodium 4-[(3,5-diiodophenyl)sulfonylamino]benzenesulfonic acid Traditional Name: sodium 4-[(3,5-diiodophenyl)sulfonylamino]besylic acid Formula: C12H9I2NNaO5S2+ MolecularWeight: 588.13227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9I2NO5S2.Na/c13-8-5-9(14)7-12(6-8)21(16,17)15-10-1-3-11(4-2-10)22(18,19)20;/h1-7,15H,(H,18,19,20);/q;+1