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 COCCCNCCCOc1ccc(Cl)cc1C(C)(C)C

InChI InChI=1S/C17H28ClNO2/c1-17(2,3)15-13-14(18)7-8-16(15)21-12-6-10-19-9-5-11-20-4/h7-8,13,19H,5-6,9-12H2,1-4H3

InChIKey HPECOWXNRPSDOW-UHFFFAOYSA-N

Molecular Weight

313.87