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 CCCCCCc1csc2cc(C(=O)O)sc12

InChI InChI=1S/C13H16O2S2/c1-2-3-4-5-6-9-8-16-10-7-11(13(14)15)17-12(9)10/h7-8H,2-6H2,1H3,(H,14,15)

InChIKey UFISGCZAXADFTA-UHFFFAOYSA-N

Molecular Weight

268.4