4-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate

Systemtic Name: 4-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate Openeye Name: 4-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonate CAS Name: 4-(2-ethyl-5-isoxazol-2-iumyl)benzenesulfonate IUPAC Name: 4-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate Traditional Name: 4-(2-ethylisoxazol-2-ium-5-yl)besylate Formula: C11H11NO4S MolecularWeight: 253.27434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4S/c1-2-12-8-7-11(16-12)9-3-5-10(6-4-9)17(13,14)15/h3-8H,2H2,1H3