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)c1nc2cc(Cl)c(Cl)cc2n1C

InChI InChI=1S/C10H8Cl2N2O/c1-5(15)10-13-8-3-6(11)7(12)4-9(8)14(10)2/h3-4H,1-2H3

InChIKey YSFVLOYGGIZOKH-UHFFFAOYSA-N

Molecular Weight

243.09