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

Systemtic Name: methyl 6-methyl-6-propyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 6-methyl-6-propyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate CAS Name: 6-methyl-6-propyl-5-(trifluoromethylsulfonyloxy)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-methyl-6-propyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-methyl-6-propyl-5-triflyloxy-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C13H17F3O5S MolecularWeight: 342.33129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17F3O5S/c1-4-8-12(2)9(11(17)20-3)6-5-7-10(12)21-22(18,19)13(14,15)16/h6-7H,4-5,8H2,1-3H3