SMILES
The Simplified Molecular Input Line Entry System, a way of writing a chemical structure as a line of text. Atoms are written by their symbols, bonds by characters such as = and #, branches in parentheses and rings with numbers. Ethanol is CCO. SMILES strings are easy to paste into software and enquiries, and canonical forms give one unique string per structure.
Related terms
Custom Synthesis
The preparation of a compound to a customer's specification when it is not available commercially, or not at…
InChIKey
A fixed-length, 27-character hashed version of the IUPAC International Chemical Identifier (InChI). Its first…
IUPAC Name
The systematic name of a compound built according to rules set by the International Union of Pure and Applied…
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