While I can't explain your result (does this give another meaning to metal umlauts? Edit: Phosphorus isn't a metal :/), it looks like canonical SMILES represent

While I can't explain your result (does this give another meaning to metal umlauts? Edit: Phosphorus isn't a metal :/), it looks like canonical SMILES representation for methane is C (not CH4 as one might naïvely expect, as I did): https://pubchem.ncbi.nlm.nih.gov/compound/297#section=Canonical-SMILES https://pubchem.ncbi.nlm.nih.gov/compound/297#section=Canoni... https://www.avogadr.io/?background=5f0000&foreground=ce3838&smiles=C https://www.avogadr.io/?background=5f0000&foreground=ce3838&...