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

Systemtic Name: methyl 6-[(4-fluorophenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 6-[(4-fluorophenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate CAS Name: 6-[(4-fluorophenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-fluorophenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-(4-fluorobenzyl)-6-methyl-5-triflyloxy-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C17H16F4O5S MolecularWeight: 408.364553

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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=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C17H16F4O5S/c1-16(10-11-6-8-12(18)9-7-11)13(15(22)25-2)4-3-5-14(16)26-27(23,24)17(19,20)21/h4-9H,3,10H2,1-2H3