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)CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O

InChI InChI=1S/C12H9NO5S/c14-8-3-1-7(2-4-8)5-9-11(17)13(6-10(15)16)12(18)19-9/h1-5,14H,6H2,(H,15,16)/b9-5+

InChIKey LDSAGOKBOKCGGG-WEVVVXLNSA-N

Molecular Weight

279.27