phenyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanesulfonate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H13NO4S2/c15-14-9-5-4-8-13(14)19-10-11-20(16,17)18-12-6-2-1-3-7-12/h1-9H,10-11H2