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 COc1cc2cc(/C=C/c3ccccc3)cnc2cc1OC

InChI InChI=1S/C19H17NO2/c1-21-18-11-16-10-15(9-8-14-6-4-3-5-7-14)13-20-17(16)12-19(18)22-2/h3-13H,1-2H3/b9-8+

InChIKey NQVBNOPSVRCGSI-CMDGGOBGSA-N

Molecular Weight

291.35