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Table 6 Prediction of the IUPAC name of inorganic and organometallic compounds

From: Translating the InChI: adapting neural machine translation to predict IUPAC names from a chemical identifier

Common name

IUPAC namea

Predicted IUPAC name

Ferrocene

Bis[(1,2,3,4,5-η)-cyclopentadienyl]iron

Cyclopenta-1,3-diene;iron(2 +)

Ferroceneb

Bis[(1,2,3,4,5-η)-cyclopentadienyl]iron

Cyclopenta-1,3-diene;1,2,3,4-tetrafluorocyclopenta[b]pyrrol-4-ide;iron(2 +)

Hexaamminecobalt(III) chloride

Hexaamminecobalt(III) chloride

Azane;trichlorocobalt

Cobalt tricarbonyl nitrosyl

Tricarbonylnitrosylcobalt

Carbon monoxide;nitroxyl anion;cobalt

Methylmagnesium bromide

Bromo(methyl)magnesium

Magnesium;carbanide;bromide

n-butyllithium

Butyllithium

Lithium;butane

  1. aFrom ChemSpider [41] as PubChem names were not accurate
  2. bWith non-standard reconnected InChI layer