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

Systemtic Name: 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonic acid hydroxide Openeye Name: 3-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonic acid hydroxide CAS Name: 3-(2-ethyl-5-isoxazol-2-iumyl)benzenesulfonic acid hydroxide IUPAC Name: 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonic acid hydroxide Traditional Name: 3-(2-ethylisoxazol-2-ium-5-yl)besylic acid hydroxide Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4S.H2O/c1-2-12-7-6-11(16-12)9-4-3-5-10(8-9)17(13,14)15;/h3-8H,2H2,1H3;1H2