6-nitrooxyhexyl 4-sulfamoylbenzoate

Systemtic Name: 6-nitrooxyhexyl 4-sulfamoylbenzoate Openeye Name: 6-nitrooxyhexyl 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid 6-nitrooxyhexyl ester IUPAC Name: 6-nitrooxyhexyl 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid 6-nitrooxyhexyl ester Formula: C13H18N2O7S MolecularWeight: 346.35622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCCCCO[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCCCCO[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C13H18N2O7S/c14-23(19,20)12-7-5-11(6-8-12)13(16)21-9-3-1-2-4-10-22-15(17)18/h5-8H,1-4,9-10H2,(H2,14,19,20)