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 C=CCN1CCOC(c2cccc(O)c2)C1

InChI InChI=1S/C13H17NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h2-5,9,13,15H,1,6-8,10H2

InChIKey ABXIURKZPIWOPL-UHFFFAOYSA-N

Molecular Weight

219.28