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)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1

InChI InChI=1S/C7H9N5O4S/c8-7(9)10-11-17(15,16)6-3-1-2-5(4-6)12(13)14/h1-4,11H,(H4,8,9,10)

InChIKey FWMVNDTWIJETQQ-UHFFFAOYSA-N

Molecular Weight

259.25