dimethyl 2-[(1S)-4-(trifluoromethylsulfonyloxy)cyclohexa-2,4-dien-1-yl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-4-(trifluoromethylsulfonyloxy)cyclohexa-2,4-dien-1-yl]propanedioate Openeye Name: dimethyl 2-[(1S)-4-(trifluoromethylsulfonyloxy)cyclohexa-2,4-dien-1-yl]propanedioate CAS Name: 2-[(1S)-4-(trifluoromethylsulfonyloxy)-1-cyclohexa-2,4-dienyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-4-(trifluoromethylsulfonyloxy)cyclohexa-2,4-dien-1-yl]propanedioate Traditional Name: 2-[(1S)-4-triflyloxycyclohexa-2,4-dien-1-yl]malonic acid dimethyl ester Formula: C12H13F3O7S MolecularWeight: 358.28763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H]1CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C12H13F3O7S/c1-20-10(16)9(11(17)21-2)7-3-5-8(6-4-7)22-23(18,19)12(13,14)15/h3,5-7,9H,4H2,1-2H3/t7-/m1/s1