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 CCOC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])C(=O)C(F)(F)F

InChI InChI=1S/C12H10F3N3O5/c1-2-23-11(20)9(10(19)12(13,14)15)17-16-7-5-3-4-6-8(7)18(21)22/h3-6,16H,2H2,1H3/b17-9-

InChIKey PXWCYACVBRUFQF-MFOYZWKCSA-N

Molecular Weight

333.22