(3,3,5-trimethyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (3,3,5-trimethyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl) tris(fluoranyl)methanesulfonate Openeye Name: (3,3,5-trimethyl-4-oxo-cyclohexa-1,5-dien-1-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (3,3,5-trimethyl-4-oxo-1-cyclohexa-1,5-dienyl) ester IUPAC Name: (3,3,5-trimethyl-4-oxocyclohexa-1,5-dien-1-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (4-keto-3,3,5-trimethyl-cyclohexa-1,5-dien-1-yl) ester Formula: C10H11F3O4S MolecularWeight: 284.25215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(C1=O)(C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(C1=O)(C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H11F3O4S/c1-6-4-7(5-9(2,3)8(6)14)17-18(15,16)10(11,12)13/h4-5H,1-3H3