4-methylbenzenesulfonate; methylsulfanium

Systemtic Name: 4-methylbenzenesulfonate; methylsulfanium Openeye Name: 4-methylbenzenesulfonate; methylsulfonium CAS Name: 4-methylbenzenesulfonate; methylsulfonium IUPAC Name: 4-methylbenzenesulfonate; methylsulfanium Traditional Name: methylsulfonium tosylate Formula: C8H12O3S2 MolecularWeight: 220.30908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[SH2+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[SH2+]

InChI

InChI=1S/C7H8O3S.CH4S/c1-6-2-4-7(5-3-6)11(8,9)10;1-2/h2-5H,1H3,(H,8,9,10);2H,1H3