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Salt overlapping bond about depict HOT 6 OPEN

cdk avatar cdk commented on August 23, 2024
Salt overlapping bond

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Comments (6)

johnmay avatar johnmay commented on August 23, 2024 1

Yes it's reverse CHO... Things do get confusing though - RDKit recently added abbreviations and had some confusion examples where they used half forward, half backwards "CH3(O)NH-" (i think) - this makes it look like the O is connected to the first Carbon. We would make that "H3C(O)HN-" which matches ChemDraw and is the most logical way to do it - otherwise it gets very messy. For RDKit's way it would be valid if you wrote "CH3NH(O)-" but then it gets hard to join on to the Nitrogen since it's no longer at the end of the formula CH3NHO- would make it look like it joins on the O.

Here is a screenshot from ChemDraw - I drew the top and rotated it 180.

image

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johnmay avatar johnmay commented on August 23, 2024

Thanks very hard to think of a simple fix but will have a think. Basically the way it works is adds in a "longer" bond that isn't shown.

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johnmay avatar johnmay commented on August 23, 2024

Oh actually perhaps for nonterminal X>3 I should just put it near the closest terminal bond.

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egonw avatar egonw commented on August 23, 2024

OT: btw, is the OHC abbreviation common?

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johnmay avatar johnmay commented on August 23, 2024

Reopen - don't think it's fixed yet

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johnmay avatar johnmay commented on August 23, 2024

I linked the wrong issue :-)

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Related Issues (20)

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