(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl) 2-methylbenzenesulfonate

Systemtic Name: (6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl) 2-methylbenzenesulfonate Openeye Name: (6-methyl-1-oxido-pyridin-1-ium-3-yl) 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (6-methyl-1-oxido-3-pyridin-1-iumyl) ester IUPAC Name: (6-methyl-1-oxidopyridin-1-ium-3-yl) 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (6-methyl-1-oxido-pyridin-1-ium-3-yl) ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2C)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2C)[O-]

InChI

InChI=1S/C13H13NO4S/c1-10-5-3-4-6-13(10)19(16,17)18-12-8-7-11(2)14(15)9-12/h3-9H,1-2H3