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 COc1cc(/C=C/c2nnc(-c3ccc(OC(F)(F)F)cc3)o2)ccc1O

InChI

InChI=1S/C18H13F3N2O4/c1-25-15-10-11(2-8-14(15)24)3-9-16-22-23-17(26-16)12-4-6-13(7-5-12)27-18(19,20)21/h2-10,24H,1H3/b9-3+

InChIKey HDXNOXGBBUGQSX-YCRREMRBSA-N

Molecular Weight

378.31