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-][n+]1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn21

InChI InChI=1S/C12H7BrClN3O/c13-9-3-1-8(2-4-9)12-15-11-7-10(14)5-6-16(11)17(12)18/h1-7H

InChIKey QQISVBCXYHRRPX-UHFFFAOYSA-N

Molecular Weight

324.56