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

Systemtic Name: 4-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate hydrate Openeye Name: 4-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonate hydrate CAS Name: 4-(2-ethyl-5-isoxazol-2-iumyl)benzenesulfonate hydrate IUPAC Name: 4-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate hydrate Traditional Name: 4-(2-ethylisoxazol-2-ium-5-yl)besylate hydrate Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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