(4-acetyloxyphenyl)-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: (4-acetyloxyphenyl)-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: (4-acetoxyphenyl)-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (4-acetyloxyphenyl)-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (4-acetyloxyphenyl)-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: (4-acetoxyphenyl)-dimethyl-sulfonium tosylate Formula: C17H20O5S2 MolecularWeight: 368.4677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)OC1=CC=C(C=C1)[S+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)OC1=CC=C(C=C1)[S+](C)C

InChI

InChI=1S/C10H13O2S.C7H8O3S/c1-8(11)12-9-4-6-10(7-5-9)13(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1