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 CCCCCC[Se](=O)CC(=O)C(F)(F)F

InChI InChI=1S/C9H15F3O2Se/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2-7H2,1H3

InChIKey QTOSDEKHSYHUAT-UHFFFAOYSA-N

Molecular Weight

291.17