4-methylbenzenesulfonate; methylsulfanium; 2-phenylphenol

Systemtic Name: 4-methylbenzenesulfonate; methylsulfanium; 2-phenylphenol Openeye Name: 4-methylbenzenesulfonate; methylsulfonium; 2-phenylphenol CAS Name: 4-methylbenzenesulfonate; methylsulfonium; 2-phenylphenol IUPAC Name: 4-methylbenzenesulfonate; methylsulfanium; 2-phenylphenol Traditional Name: methylsulfonium; 2-phenylphenol; tosylate Formula: C20H22O4S2 MolecularWeight: 390.51628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[SH2+].C1=CC=C(C=C1)C2=CC=CC=C2O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[SH2+].C1=CC=C(C=C1)C2=CC=CC=C2O

InChI

InChI=1S/C12H10O.C7H8O3S.CH4S/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-6-2-4-7(5-3-6)11(8,9)10;1-2/h1-9,13H;2-5H,1H3,(H,8,9,10);2H,1H3