methyl 6-methyl-6-[(2-methylphenyl)methyl]-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 6-methyl-6-[(2-methylphenyl)methyl]-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 6-methyl-6-(o-tolylmethyl)-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate CAS Name: 6-methyl-6-[(2-methylphenyl)methyl]-5-(trifluoromethylsulfonyloxy)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-methyl-6-[(2-methylphenyl)methyl]-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-methyl-6-(2-methylbenzyl)-5-triflyloxy-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C18H19F3O5S MolecularWeight: 404.40067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(C(=CCC=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1CC2(C(=CCC=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C18H19F3O5S/c1-12-7-4-5-8-13(12)11-17(2)14(16(22)25-3)9-6-10-15(17)26-27(23,24)18(19,20)21/h4-5,7-10H,6,11H2,1-3H3