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 O=C(O)c1cc(-c2ccc(F)cc2F)cc(Br)c1O

InChI InChI=1S/C13H7BrF2O3/c14-10-4-6(3-9(12(10)17)13(18)19)8-2-1-7(15)5-11(8)16/h1-5,17H,(H,18,19)

InChIKey HKHBYVPMCRRTKO-UHFFFAOYSA-N

Molecular Weight

329.1