In all examples of disproportionation I have seen, there is one particular atom whose oxidation state is both increasing and decreasing to give rise to different products
For example, on heating phosphorous acid
$$\ce{4 H3PO3 -> 3 H3PO4 + PH3}$$
the oxidation state of phosphorous changes from ...
The conversion between different chemical structure formats, e.g. from .mol2 to .xyz, by openbabel may tied to conditions to be met. One example of such a filter is to allow such a conversion only for data sharing a certain scaffold, e.g.
babel -imol2 AHECAS.mol2 -oxyz AHECAS.xyz -s "c1ccccc1-[...
However, I have the impression that future users might find it helpful to learn that it was not the SMILES code provided by PubChem Sketcher, but either one of drawing the molecule in ACD Chemsketch "pristinely" and then a) generate the SMILES on the fly (tools -> generate -> Smiles notation, or b) to export the drawing as a .mol file and pass it to openbabel to determine a smiles string.
Would the moderator-to-be-elect suggest to add this into the question as addition, or would it be better to add this into a self-answer?
Either way I think it might be helpful to copy-paste a mol file, and to show the different strings generated by the PubChem sketcher (including brackets), and openbabel (SMILES contained parens, but not brackets at all).
For the moment, the solution is working sufficiently well and hence, not of urgence to reply. Possibly better to return to this later arvo anyway.
@Buttonwood I'm glad the link helped, but all in all it's your question and neither real nor imaginary mod is in position to dictate how to add this information. I personally would go for a self-answer as it better follows the established Q&A format (questions with internal monologue are usually poorly received).
Thin "membrane" is created if I leave cup of tea for hour or more. And it usually sticks to the inner sides of the cup. But I noticed that when I drink tea with jam or syrup then the cup always clean inside as if the syrup contains some kind of acid that remove that tea-thingy.
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Chemistry's third moderator election has come to a close, the votes have been tallied and the two new moderators are:
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In all examples of disproportionation I have seen, there is one particular atom whose oxidation state is both increasing and decreasing to give rise to different products
For example, on heating phosphorous acid
$$\ce{4 H3PO3 -> 3 H3PO4 + PH3}$$
the oxidation state of phosphorous changes from ...
The conversion between different chemical structure formats, e.g. from .mol2 to .xyz, by openbabel may tied to conditions to be met. One example of such a filter is to allow such a conversion only for data sharing a certain scaffold, e.g.
babel -imol2 AHECAS.mol2 -oxyz AHECAS.xyz -s "c1ccccc1-[...
Thin "membrane" is created if I leave cup of tea for hour or more. And it usually sticks to the inner sides of the cup. But I noticed that when I drink tea with jam or syrup then the cup always clean inside as if the syrup contains some kind of acid that remove that tea-thingy.
Chemistry's third moderator election has come to a close, the votes have been tallied and the two new moderators are:
They'll be joining the existing crew shortly—please thank them for volunteering, and share your assistance and advice with them as they learn the ropes!
Also, please join me...
The Periodic Table
The Periodic Table