5-(5-nitrooxypentanoyloxy)-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-(5-nitrooxypentanoyloxy)-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-5-(5-nitrooxypentanoyloxy)benzenesulfonic acid CAS Name: 2-hydroxy-5-(5-nitrooxy-1-oxopentoxy)benzenesulfonic acid IUPAC Name: 2-hydroxy-5-(5-nitrooxypentanoyloxy)benzenesulfonic acid Traditional Name: 2-hydroxy-5-(5-nitrooxypentanoyloxy)besylic acid Formula: C11H13NO9S MolecularWeight: 335.28722

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO9S/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)