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-][n+]1c2cc(C(F)(F)F)ccc2nn1-c1ccc(O)cc1

InChI InChI=1S/C13H8F3N3O2/c14-13(15,16)8-1-6-11-12(7-8)19(21)18(17-11)9-2-4-10(20)5-3-9/h1-7,20H

InChIKey SWARWGABPWOPJB-UHFFFAOYSA-N

Molecular Weight

295.22