sodium 2-(4-azanyl-2-chloranyl-phenoxy)-5-chloranyl-benzenesulfonate

Systemtic Name: sodium 2-(4-azanyl-2-chloranyl-phenoxy)-5-chloranyl-benzenesulfonate Openeye Name: sodium 2-(4-amino-2-chloro-phenoxy)-5-chloro-benzenesulfonate CAS Name: sodium 2-(4-amino-2-chlorophenoxy)-5-chlorobenzenesulfonate IUPAC Name: sodium 2-(4-amino-2-chlorophenoxy)-5-chlorobenzenesulfonate Traditional Name: sodium 2-(4-amino-2-chloro-phenoxy)-5-chloro-besylate Formula: C12H8Cl2NNaO4S MolecularWeight: 356.15699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)Cl)OC2=C(C=C(C=C2)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N)Cl)OC2=C(C=C(C=C2)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H9Cl2NO4S.Na/c13-7-1-3-11(12(5-7)20(16,17)18)19-10-4-2-8(15)6-9(10)14;/h1-6H,15H2,(H,16,17,18);/q;+1/p-1