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(-c2cc3ccc(O)cc3s2)cc1

InChI InChI=1S/C15H12OS/c1-10-2-4-11(5-3-10)14-8-12-6-7-13(16)9-15(12)17-14/h2-9,16H,1H3

InChIKey GLGSXNORTCZYDV-UHFFFAOYSA-N

Molecular Weight

240.33