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Chirality is specified using @ or @@ inside a bracketed expression. For example, a SMILES string for l-alanine would be:
N[C@@H](C)C(=O)O
Whereas d-alanine has only one @ and is otherwise the same.
E-Z isomerism is self explanatory; CC/C=C\CCO or CC\C=C/CCO is cis-3-hexen-1-ol or leaf alcohol; the trans isomer could be written either CC/C=C/CCO or CC\C=C\CCO.
The text was updated successfully, but these errors were encountered:
Chirality is specified using @ or @@ inside a bracketed expression. For example, a SMILES string for l-alanine would be:
N[C@@H](C)C(=O)O
Whereas d-alanine has only one @ and is otherwise the same.
E-Z isomerism is self explanatory;
CC/C=C\CCO
orCC\C=C/CCO
is cis-3-hexen-1-ol or leaf alcohol; the trans isomer could be written eitherCC/C=C/CCO
orCC\C=C\CCO
.The text was updated successfully, but these errors were encountered: