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[?] Errors in some ChemicalData isomeres?

Posted 8 years ago
POSTED BY: Jus Krey
2 Replies
Posted 8 years ago

Thanks! FormulaString is right, vertices are wrong. Whatever, I imagine this can be scanned and compared.

POSTED BY: Jus Krey

Thanks for pointing this out. The issue seems to stem from

In[27]:= Entity["Chemical", "Crepenynate"]["FormulaString"]

Out[27]= "C18H30O2"

In[26]:= Entity["Chemical", "Crepenynate"]["VertexTypes"] // Tally

Out[26]= {{"C", 18}, {"O", 2}, {"H", 29}}

In this case, the "Formula" is entered incorrectly, which led to this entity being in the "C18H30O2" entity class. I will file a bug report.

POSTED BY: Jason Biggs
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