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 CCC(=O)OC1CC2CCCC1N2

InChI InChI=1S/C10H17NO2/c1-2-10(12)13-9-6-7-4-3-5-8(9)11-7/h7-9,11H,2-6H2,1H3

InChIKey GSTSHGWHXRRCHO-UHFFFAOYSA-N

Molecular Weight

183.25