[6-methyl-6-propyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-dien-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-methyl-6-propyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-dien-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-methyl-6-propyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-dien-1-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-methyl-6-propyl-5-(trifluoromethylsulfonyloxy)-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [6-methyl-6-propyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-dien-1-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (6-methyl-6-propyl-5-triflyloxy-cyclohexa-1,4-dien-1-yl) ester Formula: C12H14F6O6S2 MolecularWeight: 432.356379

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=CCC=C1OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCCC1(C(=CCC=C1OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C12H14F6O6S2/c1-3-7-10(2)8(23-25(19,20)11(13,14)15)5-4-6-9(10)24-26(21,22)12(16,17)18/h5-6H,3-4,7H2,1-2H3