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 COc1cc(O)c2c(=O)n(-c3ccc(O)cc3)cnc2c1

InChI InChI=1S/C15H12N2O4/c1-21-11-6-12-14(13(19)7-11)15(20)17(8-16-12)9-2-4-10(18)5-3-9/h2-8,18-19H,1H3

InChIKey QAYMSXNVKFSOST-UHFFFAOYSA-N

Molecular Weight

284.27