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 C=CCn1sc2ccccc2c1=O

InChI InChI=1S/C10H9NOS/c1-2-7-11-10(12)8-5-3-4-6-9(8)13-11/h2-6H,1,7H2

InChIKey BUQJUCVPPUJQBJ-UHFFFAOYSA-N

Molecular Weight

191.25