Nicely typeset chemical SMILES

• openbabel

  3 998 6.3 C++

  Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

  

``` %% % External assistance to generate "IUPAC traditional name" for SMILES % CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C/C=C\C=C % % * converted by openbabel 3.1.1 (https://github.com/openbabel/openbabel) % on the CLI into a mol file % * this mol file was read by chemdoodle (https://web.chemdoodle.com/), % equally possible without an installation on the web on % https://web.chemdoodle.com/demos/iupac-naming % % output string (without the markup chemdoodle provides) used below: % Methyl (E)-3-[(1R,3R)-3-{(S)-3-[(2Z)-2,4-pentadienyl]-2-methyl-4-oxo-2-cyclopenten-1-yloxycarbonyl}-2,2-dimethylcyclopropyl]methacrylate % % With an input of the SMILES into ChemDraw (e.g., on % https://chemdrawdirect.perkinelmer.cloud/js/sample/index.html# ), % the subsequent structure2name function assigns the name % (S)-2-methyl-4-oxo-3-((Z)-penta-2,4-dien-1-yl)cyclopent-2-en-1-yl (1R,3R)-3-((E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate % % Setup around longtblr uses the example by FranekW posted in reply to % reddit "Landscape table with code snippets" by 2023-01-16, see % https://www.reddit.com/r/LaTeX/comments/10d0joc/landscape_table_with_code_snippets/ %%

• InfluxDB

  www.influxdata.com featured

  Power Real-Time Data Analytics at Scale. Get real-time insights from all types of time series data with InfluxDB. Ingest, query, and analyze billions of data points in real-time with unbounded cardinality.

  

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