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 OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H13ClF9NO/c19-13-8-12(16(30,17(23,24)25)18(26,27)28)6-7-14(13)29(10-15(20,21)22)9-11-4-2-1-3-5-11/h1-8,30H,9-10H2

InChIKey WZWCXVXAVYKLCU-UHFFFAOYSA-N

Molecular Weight

465.74