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(=O)c1ccc(OCc2ccc(Cl)cc2)cc1O

InChI InChI=1S/C15H13ClO3/c1-10(17)14-7-6-13(8-15(14)18)19-9-11-2-4-12(16)5-3-11/h2-8,18H,9H2,1H3

InChIKey AHBYYIKLPLXQNZ-UHFFFAOYSA-N

Molecular Weight

276.72