Examples
Basic Examples (2)
Create a molecule from a chemical name, then find its IUPAC name:
Create a molecule from a SMILES string, then find its IUPAC name:
Use the IUPAC name to recreate the molecule:
The new molecule is chemically equivalent to the original molecule:
Scope (2)
IUPACName works on molecules with implicit and explicit hydrogen atoms:
IUPACName works on molecules in aromatic or Kekulé form:
Neat Examples (1)
Convert an image of a molecule into the IUPAC name:
Possible Issues (1)
IUPACName relies on database lookups to find chemical names, and will return Missing if no matches are found:
Publisher
JasonB
Related Links
Version History
-
3.0.1
– 19 May 2023
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3.0.0
– 22 October 2020
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2.0.0
– 19 August 2020
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1.0.0
– 05 August 2020
Related Resources
Author Notes
This requires Mathematica version 12+ to run.