sodium 3-azanyl-4-[2,4-bis(chloranyl)phenoxy]benzenesulfonate

Systemtic Name: sodium 3-azanyl-4-[2,4-bis(chloranyl)phenoxy]benzenesulfonate Openeye Name: sodium 3-amino-4-(2,4-dichlorophenoxy)benzenesulfonate CAS Name: sodium 3-amino-4-(2,4-dichlorophenoxy)benzenesulfonate IUPAC Name: sodium 3-amino-4-(2,4-dichlorophenoxy)benzenesulfonate Traditional Name: sodium 3-amino-4-(2,4-dichlorophenoxy)besylate Formula: C12H8Cl2NNaO4S MolecularWeight: 356.15699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])N)OC2=C(C=C(C=C2)Cl)Cl.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])N)OC2=C(C=C(C=C2)Cl)Cl.[Na+]

InChI

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