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 CC(=O)OC1(c2ccccc2)Sc2ccccc2-n2cccc21

InChI InChI=1S/C19H15NO2S/c1-14(21)22-19(15-8-3-2-4-9-15)18-12-7-13-20(18)16-10-5-6-11-17(16)23-19/h2-13H,1H3

InChIKey ZAVWAMPVCLQRKU-UHFFFAOYSA-N

Molecular Weight

321.4