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 O=C1CCCC(c2ccc(O)cc2)CC1

InChI InChI=1S/C13H16O2/c14-12-3-1-2-10(4-7-12)11-5-8-13(15)9-6-11/h5-6,8-10,15H,1-4,7H2

InChIKey YTUGLQIEYCLNSZ-UHFFFAOYSA-N

Molecular Weight

204.27