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 N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2ccsc2c1

InChI InChI=1S/C16H9NO3S/c17-8-9-5-13(11-3-4-21-15(11)6-9)10-1-2-12(16(19)20)14(18)7-10/h1-7,18H,(H,19,20)

InChIKey XJNKNUHNVILYCY-UHFFFAOYSA-N

Molecular Weight

295.32