3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonic acid

Systemtic Name: 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonic acid Openeye Name: 3-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonic acid CAS Name: 3-(2-ethyl-5-isoxazol-2-iumyl)benzenesulfonic acid IUPAC Name: 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonic acid Traditional Name: 3-(2-ethylisoxazol-2-ium-5-yl)besylic acid Formula: C11H12NO4S+ MolecularWeight: 254.28228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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