{
  "abstract": "Chemical structures can be named systematically, and the 2013 IUPAC recommendations define one preferred name for each. For most of history, only a specially trained chemist or dedicated closed software tools could generate a correct, systematic molecule name from a chemical structure. Published neural structure-to-name translators can produce a fluent name for the wrong molecule. Here we present Orthonym: a generator of verified IUPAC names for chemical structures. This open, deterministic, rule-based generator emits a name only after verifying that it correctly describes the input structure. OPSIN reads back each candidate name, and the InChIKey of the parsed structure must equal that of the input; otherwise, the engine declines to name. On 2.2 million selected molecules from ChEBI, QM9, PubChem and ZINC22, it named 97.37% correctly and emitted no name for the wrong molecule. Orthonym is available under the MIT licence as a Python package and a web application.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "name": "Kohulan Rajan",
      "orcid": "0000-0003-1066-7792"
    },
    {
      "name": "Achim Zielesny"
    },
    {
      "name": "Christoph Steinbeck"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/bmm9nyht0yt3g.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15009769/v1",
  "fulltext_url": null,
  "id": "bmm9nyht0yt3g",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009769/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1703|Computational Drug Discovery Methods"
    ]
  ],
  "openalex": "W7216000663",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15009769/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-02",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/bmm9nyht0yt3g.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:21Z",
      "native_id": "10.26434/chemrxiv.15009769",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009769/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "source:chemrxiv",
      "subfield": "general"
    }
  ],
  "title": "Orthonym: verified IUPAC names for chemical structures in the wild",
  "title_text": "Orthonym: verified IUPAC names for chemical structures in the wild",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:21Z",
  "url": "https://research.draconitic.com/paper/bmm9nyht0yt3g",
  "venue": "ChemRxiv",
  "versions": []
}