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 Clc1ccc(/N=N/Nc2ccc(Cl)c(Cl)c2)cc1Cl

InChI InChI=1S/C12H7Cl4N3/c13-9-3-1-7(5-11(9)15)17-19-18-8-2-4-10(14)12(16)6-8/h1-6H,(H,17,18)

InChIKey DJNJWUBWQLGVRV-UHFFFAOYSA-N

Molecular Weight

335.02