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 O=C1C2=C(CCCC2)C2=NCCc3cccc1c32

InChI InChI=1S/C16H15NO/c18-16-12-6-2-1-5-11(12)15-14-10(8-9-17-15)4-3-7-13(14)16/h3-4,7H,1-2,5-6,8-9H2

InChIKey WRRNJSLYKHXEAM-UHFFFAOYSA-N

Molecular Weight

237.3