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 COC(=O)c1ccc(C2=CN3CCC2CC3)o1

InChI InChI=1S/C13H15NO3/c1-16-13(15)12-3-2-11(17-12)10-8-14-6-4-9(10)5-7-14/h2-3,8-9H,4-7H2,1H3

InChIKey XTDVAENSULGVTJ-UHFFFAOYSA-N

Molecular Weight

233.27