dimethyl (3aR,6aR)-2,5-bis(trifluoromethylsulfonyloxy)-1,4-dihydropentalene-3a,6a-dicarboxylate

Systemtic Name: dimethyl (3aR,6aR)-2,5-bis(trifluoromethylsulfonyloxy)-1,4-dihydropentalene-3a,6a-dicarboxylate Openeye Name: dimethyl (3aR,6aR)-2,5-bis(trifluoromethylsulfonyloxy)-1,4-dihydropentalene-3a,6a-dicarboxylate CAS Name: (3aR,6aR)-2,5-bis(trifluoromethylsulfonyloxy)-1,4-dihydropentalene-3a,6a-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aR,6aR)-2,5-bis(trifluoromethylsulfonyloxy)-1,4-dihydropentalene-3a,6a-dicarboxylate Traditional Name: (3aR,6aR)-2,5-ditriflyloxy-1,4-dihydropentalene-3a,6a-dicarboxylic acid dimethyl ester Formula: C14H12F6O10S2 MolecularWeight: 518.359499

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC(=CC1(CC(=C2)OS(=O)(=O)C(F)(F)F)C(=O)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)[C@@]12CC(=C[C@@]1(CC(=C2)OS(=O)(=O)C(F)(F)F)C(=O)OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H12F6O10S2/c1-27-9(21)11-3-7(29-31(23,24)13(15,16)17)5-12(11,10(22)28-2)6-8(4-11)30-32(25,26)14(18,19)20/h3,6H,4-5H2,1-2H3/t11-,12+/m1/s1