propan-2-yl 6-methyl-6-(phenylmethyl)-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: propan-2-yl 6-methyl-6-(phenylmethyl)-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C19H21F3O5S MolecularWeight: 418.42725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3O5S/c1-13(2)26-17(23)15-10-7-11-16(27-28(24,25)19(20,21)22)18(15,3)12-14-8-5-4-6-9-14/h4-6,8-11,13H,7,12H2,1-3H3