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=c1cc(/C=C/c2ccc(Cl)cc2)occ1O

InChI InChI=1S/C13H9ClO3/c14-10-4-1-9(2-5-10)3-6-11-7-12(15)13(16)8-17-11/h1-8,16H/b6-3+

InChIKey SZATYONXMPYOJV-ZZXKWVIFSA-N

Molecular Weight

248.66