4-methylbenzenesulfonate; 1-phenylthiolan-1-ium-3-ol

Systemtic Name: 4-methylbenzenesulfonate; 1-phenylthiolan-1-ium-3-ol Openeye Name: 4-methylbenzenesulfonate; 1-phenyltetrahydrothiophen-1-ium-3-ol CAS Name: 4-methylbenzenesulfonate; 1-phenyl-3-thiolan-1-iumol IUPAC Name: 4-methylbenzenesulfonate; 1-phenylthiolan-1-ium-3-ol Traditional Name: 1-phenyltetrahydrothiophen-1-ium-3-ol tosylate Formula: C17H20O4S2 MolecularWeight: 352.4683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[S+](CC1O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[S+](CC1O)C2=CC=CC=C2

InChI

InChI=1S/C10H13OS.C7H8O3S/c11-9-6-7-12(8-9)10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,9,11H,6-8H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1