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rapodaca / dialect

Documenting a subset of the SMILES language.
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Sulfoxide stereochemistry #17

Closed rapodaca closed 2 years ago

rapodaca commented 3 years ago

A suggestion:

C[S@](=O)Cl means C[S@"LP"](O)Cl - that is, the lone pair, oxygen and chlorine appear anticlockwise from the carbon.

It's a possibly useful idea, but only provided that all issues can be resolved. If they can't then Stereochemistry should explicitly disallow the interpretation.