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

Systemtic Name: 3-(1,2-oxazol-2-ium-5-yl)benzenesulfonate Openeye Name: 3-isoxazol-2-ium-5-ylbenzenesulfonate CAS Name: 3-(5-isoxazol-2-iumyl)benzenesulfonate IUPAC Name: 3-(1,2-oxazol-2-ium-5-yl)benzenesulfonate Traditional Name: 3-isoxazol-2-ium-5-ylbesylate Formula: C9H7NO4S MolecularWeight: 225.22118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2=CC=[NH+]O2

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2=CC=[NH+]O2

InChI

InChI=1S/C9H7NO4S/c11-15(12,13)8-3-1-2-7(6-8)9-4-5-10-14-9/h1-6H,(H,11,12,13)