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 CC(N)C(=O)OCC(C)(C)c1ccc(Cl)cc1

InChI InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-8-13(2,3)10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3

InChIKey LGRDMLGTOXSFFH-UHFFFAOYSA-N

Molecular Weight

255.74