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

Systemtic Name: methyl 6-methyl-6-(phenylmethyl)-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 6-benzyl-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate CAS Name: 6-methyl-6-(phenylmethyl)-5-(trifluoromethylsulfonyloxy)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-benzyl-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-benzyl-6-methyl-5-triflyloxy-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C17H17F3O5S MolecularWeight: 390.37409

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CCC=C1OS(=O)(=O)C(F)(F)F)C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CC1(C(=CCC=C1OS(=O)(=O)C(F)(F)F)C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C17H17F3O5S/c1-16(11-12-7-4-3-5-8-12)13(15(21)24-2)9-6-10-14(16)25-26(22,23)17(18,19)20/h3-5,7-10H,6,11H2,1-2H3