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=C1COc2ccc(-c3cc(C(F)(F)F)nn3-c3cccc(F)c3)cc2N1

InChI

InChI=1S/C18H11F4N3O2/c19-11-2-1-3-12(7-11)25-14(8-16(24-25)18(20,21)22)10-4-5-15-13(6-10)23-17(26)9-27-15/h1-8H,9H2,(H,23,26)

InChIKey YCIRKPXWAZZTKP-UHFFFAOYSA-N

Molecular Weight

377.3