4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid

Systemtic Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid Traditional Name: tosylic acid tosylate Formula: C14H15O6S2- MolecularWeight: 343.3953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O3S/c2*1-6-2-4-7(5-3-6)11(8,9)10/h2*2-5H,1H3,(H,8,9,10)/p-1