Wolfram Function Repository
Instant-use add-on functions for the Wolfram Language
Function Repository Resource:
Find the systematic IUPAC name for a molecule
ResourceFunction["IUPACName"][mol] returns the systematic chemical name for the molecule mol. | |
ResourceFunction["IUPACName"][input] uses input to create a molecule object and returns its name. | |
ResourceFunction["IUPACName"][mol,service] queries service for the chemical name. |
Create a molecule from a chemical name, then find its IUPAC name:
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Create a molecule from a SMILES string, then find its IUPAC name:
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Use the IUPAC name to recreate the molecule:
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The new molecule is chemically equivalent to the original molecule:
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IUPACName works on molecules with implicit and explicit hydrogen atoms:
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IUPACName works on molecules in aromatic or Kekulé form:
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Convert an image of a molecule into the IUPAC name:
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IUPACName relies on database lookups to find chemical names, and will return Missing if no matches are found:
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