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=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O

InChI InChI=1S/C14H8ClF4NO2/c15-8-1-2-12(21)11(5-8)13(22)20-10-4-7(14(17,18)19)3-9(16)6-10/h1-6,21H,(H,20,22)

InChIKey ZNPREQSETWFCPD-UHFFFAOYSA-N

Molecular Weight

333.67