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 CC1CCCC2(OC(O)C=CC2=O)O1

InChI InChI=1S/C10H14O4/c1-7-3-2-6-10(13-7)8(11)4-5-9(12)14-10/h4-5,7,9,12H,2-3,6H2,1H3

InChIKey VQPCEYJOGDXUFW-UHFFFAOYSA-N

Molecular Weight

198.22