Same thing with CH2Cl2. I think there's a special exception for H. I could look
into that.
Sent from my stupid iphone
On May 20, 2012, at 3:52 PM, Otis Rothenberger <osrot...@chemagic.com> wrote:
> Bob,
>
> A while back you modified Jmol SMILES and COMPARE so that coordination
> compounds involving square planar and octahedral would generate SMILES that
> could me distinguished by Jmol compare.
>
> This all works quite well, there is an interesting exception. If you use our
> square planar template on the virtual model kit to make either XeHHYY, the
> resulting SMILES does not reflect stereochemisty. If, however, you do the
> same thing with deuterium, the stereochemisry IS reflected in the SMILES.
>
> Bug or inherent behavior of H replace in modelkitmode?
>
> Otis
>
>
>
> --
> Otis Rothenberger
> o...@chemagic.com
> http://chemagic.com
>
>
>
>
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