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A single line of letters, digits and brackets encoding a structure.
Also known as: SMILES string, Simplified molecular-input line-entry system, Line notation
SMILES writes a molecular structure as one line of text — 'CCO' is ethanol. Its known weakness is that one molecule has many valid SMILES strings, so two identical compounds can look completely different unless a canonicalising algorithm is applied, and different software canonicalises differently.
Denotes a line notation encoding molecular structure as a string of atom symbols, bond characters, ring-closure digits and branch brackets.
Contexts: Laboratory
Is not unique without canonicalisation: one structure has many valid SMILES, and canonical algorithms differ between implementations.
Contexts: Laboratory
Encodes stereochemistry with slash and backslash characters for double-bond geometry and an @ symbol for tetrahedral centres.
Contexts: Laboratory
A single unbroken line of upright characters mixing capital and lowercase letters, digits, brackets and slashes.