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Table 4 Prediction of the IUPAC name of charged species, radicals, and molecules with isotopic substitutions

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

Common name

IUPAC name

Predicted IUPAC name

Phenolate

Phenolate

Phenolate

Ammonium

Azanium

Azanium

Trimethylammonium

Trimethylazanium

Trimethylazanium

Naphthalen-1-ylazanium

Naphthalen-1-ylazanium

Naphthalen-1-ylazanium

Methyl carbene radical

Methylene

Methane

Phenyl radical

Phenyl

Cyclohexatriene

Phenoxy radical

Phenyloxidanyl

Cyclohexa-2,4-dien-1-one

Heavy water

(2H2)Water

Deuteriooxydiazene

Tritiated water

(3H2)Water

Tritiooxytin

Deuterated benzene

(2H6)benzene

1,2,3,4,5,6-hexadeuteriobenzene

3-chloroalanine-Cl37

(37Cl)2-amino-2-chloroacetic acid

2-amino-2-chloroacetic acid