potassium 5-(5-nitrooxypentanoyloxy)-2-oxidanyl-benzenesulfonate

Systemtic Name: potassium 5-(5-nitrooxypentanoyloxy)-2-oxidanyl-benzenesulfonate Openeye Name: potassium 2-hydroxy-5-(5-nitrooxypentanoyloxy)benzenesulfonate CAS Name: potassium 2-hydroxy-5-(5-nitrooxy-1-oxopentoxy)benzenesulfonate IUPAC Name: potassium 2-hydroxy-5-(5-nitrooxypentanoyloxy)benzenesulfonate Traditional Name: potassium 2-hydroxy-5-(5-nitrooxypentanoyloxy)besylate Formula: C11H12KNO9S MolecularWeight: 373.37758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC(=O)CCCCO[N+](=O)[O-])S(=O)(=O)[O-])O.[K+]

Isomeric SMILES

C1=CC(=C(C=C1OC(=O)CCCCO[N+](=O)[O-])S(=O)(=O)[O-])O.[K+]

InChI

InChI=1S/C11H13NO9S.K/c13-9-5-4-8(7-10(9)22(17,18)19)21-11(14)3-1-2-6-20-12(15)16;/h4-5,7,13H,1-3,6H2,(H,17,18,19);/q;+1/p-1