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 [129Xe]

InChI InChI=1S/Xe/i1-2

InChIKey FHNFHKCVQCLJFQ-YPZZEJLDSA-N

Molecular Weight

128.9