Lexichem TK 2.7.2

Fall 2020

Minor bug fixes

  • An issue that caused the function OEParseIUPACName to incorrectly interpret elemental halogens as aromatic molecules due to their suffix “ine” has been fixed. Previously, the function failed to kekulize the halogens and therefore failed to parse them.
  • An issue that caused the function OEParseIUPACName to fail to parse non-IUPAC names of carboxamide derivatives, such as benzimidazole-5-carboxylic acid, due to a failure to kekulize the benzimidazole rings has been fixed. 1H hydrogen is now added by default to benzimidazole if a prefix is not included to specify hydrogen locations.
  • An issue that caused the function OEParseIUPACName to fail to parse names, such as carboxylic acid methyl amide, where methyl amide is used as a suffix has been fixed.