sodium 2-chloranyl-4-(2-hydroxyethylamino)-5-nitro-benzenesulfonate

Systemtic Name: sodium 2-chloranyl-4-(2-hydroxyethylamino)-5-nitro-benzenesulfonate Openeye Name: sodium 2-chloro-4-(2-hydroxyethylamino)-5-nitro-benzenesulfonate CAS Name: sodium 2-chloro-4-(2-hydroxyethylamino)-5-nitrobenzenesulfonate IUPAC Name: sodium 2-chloro-4-(2-hydroxyethylamino)-5-nitrobenzenesulfonate Traditional Name: sodium 2-chloro-4-(2-hydroxyethylamino)-5-nitro-besylate Formula: C8H8ClN2NaO6S MolecularWeight: 318.66669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)S(=O)(=O)[O-])[N+](=O)[O-])NCCO.[Na+]

Isomeric SMILES

C1=C(C(=CC(=C1Cl)S(=O)(=O)[O-])[N+](=O)[O-])NCCO.[Na+]

InChI

InChI=1S/C8H9ClN2O6S.Na/c9-5-3-6(10-1-2-12)7(11(13)14)4-8(5)18(15,16)17;/h3-4,10,12H,1-2H2,(H,15,16,17);/q;+1/p-1