Basic Examples (2)
Basic Examples
(2)
Find the SMILES string from a chemical name:
In[1]:=
Out[1]=
NC(C)C(CCCCCCCCCCC(CC(CC)C)C)O
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Use a chemical name with defined stereochemistry:
In[1]:=
Out[1]=
CN([C@H]([C@H](C=O)O)[C@@H]([C@@H](C)O)O)C
Scope (2)
Scope
(2)
Options (2)
Options
(2)