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 CCCCCCCCOC(=O)c1ccc(O)c2ncccc12

InChI InChI=1S/C18H23NO3/c1-2-3-4-5-6-7-13-22-18(21)15-10-11-16(20)17-14(15)9-8-12-19-17/h8-12,20H,2-7,13H2,1H3

InChIKey YKHNNZLMYRHIDM-UHFFFAOYSA-N

Molecular Weight

301.39