3-azanyl-5-chloranyl-2-oxidanyl-benzenesulfonate

Systemtic Name: 3-azanyl-5-chloranyl-2-oxidanyl-benzenesulfonate Openeye Name: 3-amino-5-chloro-2-hydroxy-benzenesulfonate CAS Name: 3-amino-5-chloro-2-hydroxybenzenesulfonate IUPAC Name: 3-amino-5-chloro-2-hydroxybenzenesulfonate Traditional Name: 3-amino-5-chloro-2-hydroxy-besylate Formula: C6H5ClNO4S- MolecularWeight: 222.6262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)[O-])O)N)Cl

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)[O-])O)N)Cl

InChI

InChI=1S/C6H6ClNO4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12)/p-1