(2-methyl-3-methylsulfonyl-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (2-methyl-3-methylsulfonyl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (2-methyl-3-methylsulfonyl-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (2-methyl-3-methylsulfonylphenyl) ester IUPAC Name: (2-methyl-3-methylsulfonylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3-mesyl-2-methyl-phenyl) ester Formula: C9H9F3O5S2 MolecularWeight: 318.28997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C9H9F3O5S2/c1-6-7(17-19(15,16)9(10,11)12)4-3-5-8(6)18(2,13)14/h3-5H,1-2H3