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(NCc1ccccc1Cl)c1cccc(C(F)(F)F)c1

InChI InChI=1S/C15H11ClF3NO/c16-13-7-2-1-4-11(13)9-20-14(21)10-5-3-6-12(8-10)15(17,18)19/h1-8H,9H2,(H,20,21)

InChIKey SPZBPBVALCMWIT-UHFFFAOYSA-N

Molecular Weight

313.71