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=c1ccoc2ccc(OCc3ccc(Cl)cc3)cc12

InChI InChI=1S/C16H11ClO3/c17-12-3-1-11(2-4-12)10-20-13-5-6-16-14(9-13)15(18)7-8-19-16/h1-9H,10H2

InChIKey MJXARBMPJZTTEJ-UHFFFAOYSA-N

Molecular Weight

286.71