4-methylbenzenesulfonate; 1,3-oxazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,3-oxazol-3-ium Openeye Name: 4-methylbenzenesulfonate; oxazol-3-ium CAS Name: 4-methylbenzenesulfonate; oxazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 1,3-oxazol-3-ium Traditional Name: oxazol-3-ium tosylate Formula: C10H11NO4S MolecularWeight: 241.26364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=COC=[NH+]1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=COC=[NH+]1

InChI

InChI=1S/C7H8O3S.C3H3NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-5-3-4-1/h2-5H,1H3,(H,8,9,10);1-3H