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 COc1ccccc1-c1cnccc1NS(=O)(=O)C(F)(F)F

InChI InChI=1S/C13H11F3N2O3S/c1-21-12-5-3-2-4-9(12)10-8-17-7-6-11(10)18-22(19,20)13(14,15)16/h2-8H,1H3,(H,17,18)

InChIKey GNKNIWWSXMYIAK-UHFFFAOYSA-N

Molecular Weight

332.3