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 COc1ccc(/C(F)=C\c2cc(OC)c(OC)c(OC)c2)cc1O

InChI InChI=1S/C18H19FO5/c1-21-15-6-5-12(10-14(15)20)13(19)7-11-8-16(22-2)18(24-4)17(9-11)23-3/h5-10,20H,1-4H3/b13-7+

InChIKey MERONNUGBUIKIW-NTUHNPAUSA-N

Molecular Weight

334.34