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 Cc1cc2c(n1C)CCc1ccc(=O)sc1-2

InChI InChI=1S/C13H13NOS/c1-8-7-10-11(14(8)2)5-3-9-4-6-12(15)16-13(9)10/h4,6-7H,3,5H2,1-2H3

InChIKey ROSUFWFEKDBBGW-UHFFFAOYSA-N

Molecular Weight

231.32