dimethyl (1R,4R)-4-(phenylcarbonyl)-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,4R)-4-(phenylcarbonyl)-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate Openeye Name: dimethyl (1R,4R)-4-benzoyl-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate CAS Name: (1R,4R)-4-benzoyl-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,4R)-4-benzoyl-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate Traditional Name: (1R,4R)-4-benzoyl-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylic acid dimethyl ester Formula: C16H13F3O5 MolecularWeight: 342.26663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C1C(=O)OC)C(F)(F)F)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1[C@H](C(=C1C(=O)OC)C(F)(F)F)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H13F3O5/c1-23-14(21)9-10(13(20)8-6-4-3-5-7-8)12(16(17,18)19)11(9)15(22)24-2/h3-7,9-10H,1-2H3/t9-,10-/m1/s1