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 CC1=CC(C)(C)N(Cc2ccc(F)c(F)c2)c2ccc(O)cc21

InChI InChI=1S/C19H19F2NO/c1-12-10-19(2,3)22(18-7-5-14(23)9-15(12)18)11-13-4-6-16(20)17(21)8-13/h4-10,23H,11H2,1-3H3

InChIKey IPSBPNRPIHENTJ-UHFFFAOYSA-N

Molecular Weight

315.36