(1-methylthiolan-1-ium-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-methylthiolan-1-ium-2-yl) 4-methylbenzenesulfonate Openeye Name: (1-methyltetrahydrothiophen-1-ium-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-2-thiolan-1-iumyl) ester IUPAC Name: (1-methylthiolan-1-ium-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyltetrahydrothiophen-1-ium-2-yl) ester Formula: C12H17O3S2+ MolecularWeight: 273.39158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC[S+]2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC[S+]2C

InChI

InChI=1S/C12H17O3S2/c1-10-5-7-11(8-6-10)17(13,14)15-12-4-3-9-16(12)2/h5-8,12H,3-4,9H2,1-2H3/q+1