Table 10 Different canonical SMILES representations of acetaminophen
From: Jmol SMILES and Jmol SMARTS: specifications and applications
Service | “Canonical” SMILES | |
|---|---|---|
PubChem | CC(=O)NC1=CC=C(C=C1)O |
|
NCI/CADD | C1=C(NC(=O)C)C=CC(=C1)O | |
JSME | CC(=O)Nc1ccc(O)cc1 |
