> I have a number of multimolecular complexes that I'm converting into
> canonical SMILES. Some of these molecules are carbon monoxide, and I am
> noticing that sometimes they are written as [C]=O, and sometimes as O=[C].
>
> Is the expected behavior of canonical SMILES - or should it instead
Hi there,
I have a number of multimolecular complexes that I'm converting into canonical
SMILES. Some of these molecules are carbon monoxide, and I am noticing that
sometimes they are written as [C]=O, and sometimes as O=[C].
Is the expected behavior of canonical SMILES - or should it instea
