An impurity of a compound is indicated by including an IM annoatation (see miscellaneous interest annotations) to the compound or material notation. The IM annotation provides details with keys a, c or sfn, specifying an impurity or dopant.
The following example shows the encoding of (R)-2-octanol containing its (S)-isomer as an impurity. The latter is also CurlySMILES-encoded, entered via key c:
(R)-2-octanol with impurities of (S)-2-octanol
Materials and nanostructures with atomic impurities are encoded in the same way with key c or shorter with key a:
[Si]{qd}{IMc=[P]} {*GaAs}{IMc=[Cu]}
[Si]{qd}{IMa=P} {*GaAs}{IMa=Cu}
phosphorus-doped silicon quantum dots copper-doped gallium arsenide
If the dopant is composed and SFN-encodable, key sfn is applied inside the IM annotation to specify the dopant. This is shown here for a highly sinterable nanopowder (studied in 10.1016/j.ceramint.2008.01.027) consisting of cerium dioxide (CeO2) nanoparticles doped with diytterium trioxide (Y2O3):
Y2O3-doped CeO2 nanoparticles
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[1] A. Drefahl: CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures. J. Cheminf. 2011, 3:1; doi: 10.1186/1758-2946-3-1.

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