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

Systemtic Name: ethyl 6-methyl-6-(phenylmethyl)-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H19F3O5S MolecularWeight: 404.40067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC=C(C1(C)CC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CCC=C(C1(C)CC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

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