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(O)c1ccccc1Nc1cc(I)cc(C(F)(F)F)c1

InChI InChI=1S/C14H9F3INO2/c15-14(16,17)8-5-9(18)7-10(6-8)19-12-4-2-1-3-11(12)13(20)21/h1-7,19H,(H,20,21)

InChIKey NALHBPHLCISSGR-UHFFFAOYSA-N

Molecular Weight

407.13