OK, I don't get the logic of this:
Rule 1 (a) Higher atomic number precedes lower;
(b) A duplicated atom, with its predecessor node having the same label
closer
to the root, ranks higher than a duplicated atom, with its predecessor node
having the same label farther from the root, which ranks higher than any
nonduplicated-atom-node (proposed by Custer, ref. 36)
Rule 2 Higher atomic mass number precedes lower;
Seriously? root distance is checked before isotope. Sure seems odd to me.
Why would that distance check not be after atomic number and mass??
Whatever...
Bob
On Sun, Apr 9, 2017 at 12:11 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> OK, so I am reading Chapter 9 now to see the gory details. I didn't know
> about the root-distance check, and so now
>
> 1-(bicyclo[2.2.2]octan-1-yl)-1-[1,5-dicyclopropyl-3(2-cyclop
> ropylethyl)-pentan-3-yl]methan-1-ol.mol
>
> is working. So all of this is easy enough. That's probably it for
> independent stereochemistry. Where there is a dependency of one
> stereochemical determination from another -- R/S after E/Z; E/Z after R/S,
> E/Z after E/Z, R/S after R/S -- obviously that takes some sort of more
> general iteration.
>
> I think I will have to tackle that another day.
>
> Bob
>
>
>
>
>
> On Sun, Apr 9, 2017 at 11:03 AM, John Mayfield <
> john.wilkinson...@gmail.com> wrote:
>
>> Good good,
>>
>> Fake news before fake news - a paper published in the CCG journal by the
>> CCG.
>>
>> John
>>
>> On 9 April 2017 at 16:51, Robert Hanson <hans...@stolaf.edu> wrote:
>>
>>> No, John. Don't worry. I just happened to look at that page prior to
>>> designing my own.
>>>
>>> On Sun, Apr 9, 2017 at 10:44 AM, John Mayfield <
>>> john.wilkinson...@gmail.com> wrote:
>>>
>>>> Hi Bob,
>>>>
>>>> On 9 April 2017 at 13:42, Robert Hanson <hans...@stolaf.edu> wrote:
>>>>
>>>>> [I actually do know it is Cahn; pulled "Cohen" without thinking from
>>>>> https://www.chemcomp.com/journal/chiral.htm. Serves me right. Duh!]
>>>>>
>>>>
>>>> Was that the algorithm you implemented because it's not correct - it
>>>> doesn't (and can't) handle ghost atoms. Trying to track down the example
>>>> but Daniel Lowe constructed a small reproducible example to demonstrate why
>>>> this can never work.
>>>>
>>>> John
>>>>
>>>>
>>>> ------------------------------------------------------------
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>>>>
>>>
>>>
>>> --
>>> Robert M. Hanson
>>> Larson-Anderson Professor of Chemistry
>>> St. Olaf College
>>> Northfield, MN
>>> http://www.stolaf.edu/people/hansonr
>>>
>>>
>>> If nature does not answer first what we want,
>>> it is better to take what answer we get.
>>>
>>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>>>
>>>
>>
>
>
> --
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
>
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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