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 C1=C(c2ccc(-c3ccccc3)o2)C2CCN1CC2

InChI InChI=1S/C17H17NO/c1-2-4-14(5-3-1)16-6-7-17(19-16)15-12-18-10-8-13(15)9-11-18/h1-7,12-13H,8-11H2

InChIKey ILAZBCOZIJMNAN-UHFFFAOYSA-N

Molecular Weight

251.33