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 CCCCOc1cscc1C1=CCCN(C)C1

InChI InChI=1S/C14H21NOS/c1-3-4-8-16-14-11-17-10-13(14)12-6-5-7-15(2)9-12/h6,10-11H,3-5,7-9H2,1-2H3

InChIKey RNDWDAPMGUAANZ-UHFFFAOYSA-N

Molecular Weight

251.39