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=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1

InChI InChI=1S/C23H14ClNO2/c24-16-10-12-17(13-11-16)25-14-19(15-6-2-1-3-7-15)21-22(25)18-8-4-5-9-20(18)27-23(21)26/h1-14H

InChIKey HYJSBIKGEFBBQJ-UHFFFAOYSA-N

Molecular Weight

371.82