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(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1

InChI InChI=1S/C16H14F3NO2/c1-22-14-8-2-11(3-9-14)10-20-15(21)12-4-6-13(7-5-12)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)

InChIKey UWICULOKMIBSLX-UHFFFAOYSA-N

Molecular Weight

309.29