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 CC(=O)NO

InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)

InChIKey RRUDCFGSUDOHDG-UHFFFAOYSA-N

Molecular Weight

75.07