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 Clc1cccc(Cl)c1CN1CCOCC1

InChI InChI=1S/C11H13Cl2NO/c12-10-2-1-3-11(13)9(10)8-14-4-6-15-7-5-14/h1-3H,4-8H2

InChIKey MUOVEEIXKXOODD-UHFFFAOYSA-N

Molecular Weight

246.14