4-methylbenzenesulfonate; (1-methylthiolan-1-ium-3-yl) 4-methylbenzenesulfonate

Systemtic Name: 4-methylbenzenesulfonate; (1-methylthiolan-1-ium-3-yl) 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate; (1-methyltetrahydrothiophen-1-ium-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid (1-methyl-3-thiolan-1-iumyl) ester IUPAC Name: 4-methylbenzenesulfonate; (1-methylthiolan-1-ium-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyltetrahydrothiophen-1-ium-3-yl) ester tosylate Formula: C19H24O6S3 MolecularWeight: 444.58526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)OC2CC[S+](C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)OC2CC[S+](C2)C

InChI

InChI=1S/C12H17O3S2.C7H8O3S/c1-10-3-5-12(6-4-10)17(13,14)15-11-7-8-16(2)9-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,11H,7-9H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1