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 N#Cc1c(-c2cccs2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-]

InChI InChI=1S/C13H6ClN3O2S/c14-8-3-4-9-10(6-8)16(18)11(7-15)13(17(9)19)12-2-1-5-20-12/h1-6H

InChIKey JKSRTOOKBIYYAA-UHFFFAOYSA-N

Molecular Weight

303.73