mcs07 / PubChemPy

Python wrapper for the PubChem PUG REST API.
http://pubchempy.readthedocs.io
MIT License
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SMILES string full of tungsten #39

Closed jtd1g16 closed 4 years ago

jtd1g16 commented 4 years ago

4,4',4''-methanetriyltris(N,N-diethylaniline) (https://pubchem.ncbi.nlm.nih.gov/compound/Leucocrystal-Violet#section=MeSH-Entry-Terms) comes up with the following SMILES: [W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].CCN(CC)c1ccc(cc1)C+c3ccc(cc3)N(CC)CC'

I'm unsure if this is the right place to submit this info.

jtd1g16 commented 4 years ago

The smiles string came from a different source (cirpy) - I'll submit the issue to them instead.