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 COc1ccc(S(=O)(=O)Oc2c3ccccc3cc3ccccc23)cc1

InChI InChI=1S/C21H16O4S/c1-24-17-10-12-18(13-11-17)26(22,23)25-21-19-8-4-2-6-15(19)14-16-7-3-5-9-20(16)21/h2-14H,1H3

InChIKey QHVGWZZGHVIVRR-UHFFFAOYSA-N

Molecular Weight

364.42