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 COc1cc(C=O)ccc1Oc1ccccc1

InChI InChI=1S/C14H12O3/c1-16-14-9-11(10-15)7-8-13(14)17-12-5-3-2-4-6-12/h2-10H,1H3

InChIKey AARAIFZDFDNWOI-UHFFFAOYSA-N

Molecular Weight

228.25