(4-chloranyl-3-oxidanyl-butyl) 4-nitrobenzenesulfonate

Systemtic Name: (4-chloranyl-3-oxidanyl-butyl) 4-nitrobenzenesulfonate Openeye Name: (4-chloro-3-hydroxy-butyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-chloro-3-hydroxybutyl) ester IUPAC Name: (4-chloro-3-hydroxybutyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-chloro-3-hydroxy-butyl) ester Formula: C10H12ClNO6S MolecularWeight: 309.72338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCCC(CCl)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCCC(CCl)O

InChI

InChI=1S/C10H12ClNO6S/c11-7-9(13)5-6-18-19(16,17)10-3-1-8(2-4-10)12(14)15/h1-4,9,13H,5-7H2