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| Code/trivial name (a) | IUPAC name/SMILES notation/InChiKey (b) | Structural formula (c) |
|---|---|---|
| Styrene |
Ethenylbenzene C=Cc1ccccc1 PPBRXRYQALVLMV‐UHFFFAOYSA‐N |
|
(a): The metabolite name in bold is the name used in the conclusion.
(b): ACD/Name 2021.1.3 ACD/Labs 2021 Release (File version N15e41, Build 123,232, 07 July 2021).
(c): ACD/ChemSketch 2021.1.3 ACD/Labs 2021 Release (File version C25H41, Build 123,835, 29 August 2021).
