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 CCCCOC(=O)c1cnc2ccc(CC)cc2c1O

InChI InChI=1S/C16H19NO3/c1-3-5-8-20-16(19)13-10-17-14-7-6-11(4-2)9-12(14)15(13)18/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18)

InChIKey CJTBJWFADVNZQZ-UHFFFAOYSA-N

Molecular Weight

273.33