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 N#Cc1ccc(Oc2ccc(-c3cc(CCO)on3)cc2Cl)c(O)c1

InChI InChI=1S/C18H13ClN2O4/c19-14-8-12(15-9-13(5-6-22)25-21-15)2-4-17(14)24-18-3-1-11(10-20)7-16(18)23/h1-4,7-9,22-23H,5-6H2

InChIKey XKGPTRKBPOKEDN-UHFFFAOYSA-N

Molecular Weight

356.76