On Mar 2, 2017, at 21:31, Andrew Dalke <da...@dalkescientific.com> wrote:
>> In practice, one chemist might represent nitromethane as C[N+](=O)[O-] with
>> a nitrogen of valence 3 in a charge-separated structure while another might
>> represent it as CN(=O)=O with a neutral 5-valent nitrogen. Which SMILES is
>> correct? Both are.
I'm sorry. I sent that without fully double-checking/proof-reading. That is not
a counter-example.
I'll see if I can find an actual counter-example.
I still think it should be changed.
Andrew
da...@dalkescientific.com
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