3-(2-ethyl-1,2-oxazol-2-ium-4-yl)benzenesulfonate

Systemtic Name: 3-(2-ethyl-1,2-oxazol-2-ium-4-yl)benzenesulfonate Openeye Name: 3-(2-ethylisoxazol-2-ium-4-yl)benzenesulfonate CAS Name: 3-(2-ethyl-4-isoxazol-2-iumyl)benzenesulfonate IUPAC Name: 3-(2-ethyl-1,2-oxazol-2-ium-4-yl)benzenesulfonate Traditional Name: 3-(2-ethylisoxazol-2-ium-4-yl)besylate Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=CO1)C2=CC(=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC(=CO1)C2=CC(=CC=C2)S(=O)(=O)[O-]

InChI

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