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 FC(F)(F)c1ccc(OC(c2ccccc2)C2CCNCC2)cc1

InChI InChI=1S/C19H20F3NO/c20-19(21,22)16-6-8-17(9-7-16)24-18(14-4-2-1-3-5-14)15-10-12-23-13-11-15/h1-9,15,18,23H,10-13H2

InChIKey GWXNFOIUHHZIIQ-UHFFFAOYSA-N

Molecular Weight

335.37