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

Systemtic Name: cyanomethyl 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate Openeye Name: cyanomethyl 3-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonate CAS Name: 3-(2-ethyl-5-isoxazol-2-iumyl)benzenesulfonic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate Traditional Name: 3-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonic acid cyanomethyl ester Formula: C13H13N2O4S+ MolecularWeight: 293.31832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N2O4S/c1-2-15-8-6-13(19-15)11-4-3-5-12(10-11)20(16,17)18-9-7-14/h3-6,8,10H,2,9H2,1H3/q+1