That's exactly the issue. The image is a faithful reproduction of the underlying MOL file, but 2D mol files are not very useful without knowing the wedge bond convention adopted. I'll expand in a further blog post.
This representation would probably cost a point or two on an undergraduate exam. I don't think any formalism, however internally correct, would make it palatable to a practicing chemist.
Here's an image from PubChem. I count two chiral centers, but for how many of these is the chirality specified?
3 comments:
Which wedge bond formalism are you using here again?
That's exactly the issue. The image is a faithful reproduction of the underlying MOL file, but 2D mol files are not very useful without knowing the wedge bond convention adopted. I'll expand in a further blog post.
This representation would probably cost a point or two on an undergraduate exam. I don't think any formalism, however internally correct, would make it palatable to a practicing chemist.
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