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 [O-][n+]1ccccc1S

InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H

InChIKey FGVVTMRZYROCTH-UHFFFAOYSA-N

Molecular Weight

127.17