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A structured string beginning InChI= with slash-separated layers.
Also known as: InChI string, International Chemical Identifier, InChIKey
An InChI is a canonical identifier: the same structure always produces the same string, which is what SMILES cannot guarantee. It is built in layers separated by slashes — formula, connectivity, hydrogens, charge, stereochemistry — so a truncated InChI is still a valid, less specific identifier.
Denotes the IUPAC International Chemical Identifier: a canonical, algorithmically derived string identifying a chemical structure.
Contexts: Laboratory
Is canonical by construction, unlike SMILES: one structure yields exactly one standard InChI.
Contexts: Laboratory
Is layered, each slash-delimited section adding specificity, so truncating it yields a valid identifier for a broader class.
Contexts: Laboratory
Has a fixed-length hashed form, the InChIKey, designed for database lookup and web search rather than for reconstruction.
Contexts: Laboratory
A line of upright characters opening with the letters InChI and an equals sign, divided into sections by forward slashes.