Several componentsStep 11 of 17 of the InChI walkthrough. Salts and mixtures are numbered one component at a time and then serialised together. Components are sorted, joined with a dot in the formula and with semicolons everywhere else, and a component that contributes nothing to a layer leaves an empty slot rather than disappearing.It opens on CC(=O)[O-].[Na+], drawn live, so the layer under discussion changes as you change the structure.Convert a structure to its InChI and InChIKey and back, convert a whole CSV, XLSX or SDF file, learn how the identifier is derived, and practise writing its layers. The InChI engine is WebAssembly running in your browser, so the tool needs JavaScript — and nothing you open ever leaves your machine.

Convert — a structure in, an InChI out

Batch — a whole CSV, XLSX or SDF file

Tutorial — how an InChI is derived

Exercises — write the layers yourself

Cheatsheet — every layer in a table

Tests — the IUPAC regression corpora

Download — take the engine away

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vcl.cheminfo.org — Combine a core and fragments into a screened library.

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moles.cheminfo.org — Balance a reaction, and work out its mass composition.

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