Aspirin Isomer 1b

The conformation about the acid C-O bond is s-trans. The carboxy group is oriented such that the OH group is far away from the ester group; Z with regard to the Ph-COOH bond. The conformation about the ester C-O bond is s-cis.

Figure. The RHF/6-31G* optimized structure of isomer 1b of aspirin.

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