Bob,

I was working on some model exercises involving addition to Re and Si 
carbonyl faces.  Using the model kit to form the alcohol from 
para-chlorobenzophenone, the resulting (4-chlorophenyl)-phenylmethanol 
SMILES shows no R/S stereochemisty. Subsequent playing around with other 
substituted diphenylcarbinols, including ring alkyl substituents, showed 
the same type of result.

Bug or inherent kekule aromatic SMILES limitation?

Otis

-- 
Otis Rothenberger
chemagic.com




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