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 Cc1c(SCc2ccc(CCCC[18F])cc2)oc2ccccc2c1=O

InChI

InChI=1S/C21H21FO2S/c1-15-20(23)18-7-2-3-8-19(18)24-21(15)25-14-17-11-9-16(10-12-17)6-4-5-13-22/h2-3,7-12H,4-6,13-14H2,1H3/i22-1

InChIKey FSZGSKABPZYZBS-KVTPGWOSSA-N

Molecular Weight

355.46