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 Oc1ccc(CCNCCCCCc2ccccc2)cc1

InChI InChI=1S/C19H25NO/c21-19-12-10-18(11-13-19)14-16-20-15-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2

InChIKey GMQWOUOTGDXTNP-UHFFFAOYSA-N

Molecular Weight

283.41