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 CCOC(=O)c1cc2cc(CO)ccc2oc1=O

InChI InChI=1S/C13H12O5/c1-2-17-12(15)10-6-9-5-8(7-14)3-4-11(9)18-13(10)16/h3-6,14H,2,7H2,1H3

InChIKey LJKJRALGZCZICN-UHFFFAOYSA-N

Molecular Weight

248.23