2-chloranyl-4-(2-hydroxyethylamino)-5-nitro-benzenesulfonic acid

Systemtic Name: 2-chloranyl-4-(2-hydroxyethylamino)-5-nitro-benzenesulfonic acid Openeye Name: 2-chloro-4-(2-hydroxyethylamino)-5-nitro-benzenesulfonic acid CAS Name: 2-chloro-4-(2-hydroxyethylamino)-5-nitrobenzenesulfonic acid IUPAC Name: 2-chloro-4-(2-hydroxyethylamino)-5-nitrobenzenesulfonic acid Traditional Name: 2-chloro-4-(2-hydroxyethylamino)-5-nitro-besylic acid Formula: C8H9ClN2O6S MolecularWeight: 296.68486

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9ClN2O6S/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)