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 CCCCCCCCCC[S+]([O-])CC(=O)C(F)(F)F

InChI InChI=1S/C13H23F3O2S/c1-2-3-4-5-6-7-8-9-10-19(18)11-12(17)13(14,15)16/h2-11H2,1H3

InChIKey PWWCYKIIRMNUAY-UHFFFAOYSA-N

Molecular Weight

300.39