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 CCCCNC1CCc2c(cccc2OC)C1

InChI InChI=1S/C15H23NO/c1-3-4-10-16-13-8-9-14-12(11-13)6-5-7-15(14)17-2/h5-7,13,16H,3-4,8-11H2,1-2H3

InChIKey XGYRKKQYBLBZCF-UHFFFAOYSA-N

Molecular Weight

233.35