4-methylbenzenesulfonate; 2,3,5-trimethyl-1,3-thiazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 2,3,5-trimethyl-1,3-thiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 2,3,5-trimethylthiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 2,3,5-trimethylthiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 2,3,5-trimethyl-1,3-thiazol-3-ium Traditional Name: 2,3,5-trimethylthiazol-3-ium tosylate Formula: C13H17NO3S2 MolecularWeight: 299.40898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C[N+](=C(S1)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C[N+](=C(S1)C)C

InChI

InChI=1S/C7H8O3S.C6H10NS/c1-6-2-4-7(5-3-6)11(8,9)10;1-5-4-7(3)6(2)8-5/h2-5H,1H3,(H,8,9,10);4H,1-3H3/q;+1/p-1