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 Cc1ccc(OCCCCOc2c3ccoc3cc3oc(=O)ccc23)cc1

InChI

InChI=1S/C22H20O5/c1-15-4-6-16(7-5-15)24-11-2-3-12-26-22-17-8-9-21(23)27-20(17)14-19-18(22)10-13-25-19/h4-10,13-14H,2-3,11-12H2,1H3

InChIKey GQFHTXXEYJJIFQ-UHFFFAOYSA-N

Molecular Weight

364.4