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=C(N)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1

InChI InChI=1S/C7H7ClN4O4S/c8-5-3-4(1-2-6(5)12(13)14)17(15,16)11-7(9)10/h1-3H,(H4,9,10,11)

InChIKey ADWGWNVRAORRPP-UHFFFAOYSA-N

Molecular Weight

278.68