sodium 4-[[4-azanyl-3,5-bis(iodanyl)phenyl]sulfonylamino]benzenesulfonate

Systemtic Name: sodium 4-[[4-azanyl-3,5-bis(iodanyl)phenyl]sulfonylamino]benzenesulfonate Openeye Name: sodium 4-[(4-amino-3,5-diiodo-phenyl)sulfonylamino]benzenesulfonate CAS Name: sodium 4-[(4-amino-3,5-diiodophenyl)sulfonylamino]benzenesulfonate IUPAC Name: sodium 4-[(4-amino-3,5-diiodophenyl)sulfonylamino]benzenesulfonate Traditional Name: sodium 4-[(4-amino-3,5-diiodo-phenyl)sulfonylamino]besylate Formula: C12H9I2N2NaO5S2 MolecularWeight: 602.13897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10I2N2O5S2.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,15H2,(H,19,20,21);/q;+1/p-1