Invalid SMILES generated for dodgy name

Issue #54 resolved
Daniel Lowe
repo owner created an issue

methanaldehyde dimethyl acetal oxide currently produces COCOC.O=1

Comments (1)

  1. Daniel Lowe reporter

    Fixed, now produces

    COC[O+](C)[O-]
    

    Oxide was being bonded to the deleted aldehyde oxygen atom as orphoned suffix fragments were being incorrectly used to determine which atoms came from suffixes.

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