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 Cc1cc(OCc2ccc(F)cc2)ccc1CNc1cccc(C(=O)O)c1

InChI

InChI=1S/C22H20FNO3/c1-15-11-21(27-14-16-5-8-19(23)9-6-16)10-7-18(15)13-24-20-4-2-3-17(12-20)22(25)26/h2-12,24H,13-14H2,1H3,(H,25,26)

InChIKey NWHHSMYQHVSHDL-UHFFFAOYSA-N

Molecular Weight

365.4