4-methylbenzenesulfonate; 1-phenylethanone

Systemtic Name: 4-methylbenzenesulfonate; 1-phenylethanone Openeye Name: 4-methylbenzenesulfonate; 1-phenylethanone CAS Name: 4-methylbenzenesulfonate; 1-phenylethanone IUPAC Name: 4-methylbenzenesulfonate; 1-phenylethanone Traditional Name: acetophenone tosylate Formula: C15H15O4S- MolecularWeight: 291.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O.C7H8O3S/c1-7(9)8-5-3-2-4-6-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/p-1