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 COc1cccc(OC)c1C(C)NS(N)(=O)=O

InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)10-8(15-2)5-4-6-9(10)16-3/h4-7,12H,1-3H3,(H2,11,13,14)

InChIKey RBVJRDMAESBZSC-UHFFFAOYSA-N

Molecular Weight

260.31