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)Cc1cc(F)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1

InChI InChI=1S/C16H9F4NO2S/c17-9-2-7(1-8(3-9)5-13(22)23)4-12-21-15-14(20)10(18)6-11(19)16(15)24-12/h1-3,6H,4-5H2,(H,22,23)

InChIKey QTRSOQZYDPPSJM-UHFFFAOYSA-N

Molecular Weight

355.31