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 CCCCCCCCCCCCO[C@H]1CN[C@H](CO)C1.Cl

InChI InChI=1S/C17H35NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-20-17-13-16(15-19)18-14-17;/h16-19H,2-15H2,1H3;1H/t16-,17+;/m0./s1

InChIKey ULZLGZIJXIXKFH-MCJVGQIASA-N

Molecular Weight

321.93