pyridin-1-ium-4-ylsulfanyl 2-methylbenzenesulfonate

Systemtic Name: pyridin-1-ium-4-ylsulfanyl 2-methylbenzenesulfonate Openeye Name: pyridin-1-ium-4-ylsulfanyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (4-pyridin-1-iumylthio) ester IUPAC Name: pyridin-1-ium-4-ylsulfanyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (pyridin-1-ium-4-ylthio) ester Formula: C12H12NO3S2+ MolecularWeight: 282.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OSC2=CC=[NH+]C=C2

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OSC2=CC=[NH+]C=C2

InChI

InChI=1S/C12H11NO3S2/c1-10-4-2-3-5-12(10)18(14,15)16-17-11-6-8-13-9-7-11/h2-9H,1H3/p+1