3-(2-propyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate

Systemtic Name: 3-(2-propyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate Openeye Name: 3-(2-propylisoxazol-2-ium-5-yl)benzenesulfonate CAS Name: 3-(2-propyl-5-isoxazol-2-iumyl)benzenesulfonate IUPAC Name: 3-(2-propyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate Traditional Name: 3-(2-propylisoxazol-2-ium-5-yl)besylate Formula: C12H13NO4S MolecularWeight: 267.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(O1)C2=CC(=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

CCC[N+]1=CC=C(O1)C2=CC(=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C12H13NO4S/c1-2-7-13-8-6-12(17-13)10-4-3-5-11(9-10)18(14,15)16/h3-6,8-9H,2,7H2,1H3