Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES CC(=O)c1ccc(C2=CN3CCC2CC3)o1

InChI InChI=1S/C13H15NO2/c1-9(15)12-2-3-13(16-12)11-8-14-6-4-10(11)5-7-14/h2-3,8,10H,4-7H2,1H3

InChIKey LSYQABJIACQBKK-UHFFFAOYSA-N

Molecular Weight

217.27