methylbenzene; tris(fluoranyl)methanesulfonate

Systemtic Name: methylbenzene; tris(fluoranyl)methanesulfonate Openeye Name: toluene; trifluoromethanesulfonate CAS Name: toluene; trifluoromethanesulfonate IUPAC Name: toluene; trifluoromethanesulfonate Traditional Name: toluene triflate Formula: C8H8F3O3S- MolecularWeight: 241.20753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.CHF3O3S/c1-7-5-3-2-4-6-7;2-1(3,4)8(5,6)7/h2-6H,1H3;(H,5,6,7)/p-1