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)c1[nH]cc(Cc2ccc(C(F)(F)F)cc2F)c1C

InChI InChI=1S/C16H15F4NO2/c1-3-23-15(22)14-9(2)11(8-21-14)6-10-4-5-12(7-13(10)17)16(18,19)20/h4-5,7-8,21H,3,6H2,1-2H3

InChIKey ZCEGSZZRXYRKDV-UHFFFAOYSA-N

Molecular Weight

329.29