methyl 6-ethyl-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 6-ethyl-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 6-ethyl-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate CAS Name: 6-ethyl-6-methyl-5-(trifluoromethylsulfonyloxy)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-ethyl-6-methyl-5-triflyloxy-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C12H15F3O5S MolecularWeight: 328.30471

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=CCC=C1OS(=O)(=O)C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CCC1(C(=CCC=C1OS(=O)(=O)C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C12H15F3O5S/c1-4-11(2)8(10(16)19-3)6-5-7-9(11)20-21(17,18)12(13,14)15/h6-7H,4-5H2,1-3H3