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 COc1ccc(C#CC2(O)CN3CCC2CC3)cc1

InChI InChI=1S/C16H19NO2/c1-19-15-4-2-13(3-5-15)6-9-16(18)12-17-10-7-14(16)8-11-17/h2-5,14,18H,7-8,10-12H2,1H3

InChIKey FASUWNRLMMRQRE-UHFFFAOYSA-N

Molecular Weight

257.33