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 CCCc1cc(-c2cc3ccc(O)cc3s2)ccc1O

InChI InChI=1S/C17H16O2S/c1-2-3-11-8-12(5-7-15(11)19)16-9-13-4-6-14(18)10-17(13)20-16/h4-10,18-19H,2-3H2,1H3

InChIKey DAYMYZZIEYQKPM-UHFFFAOYSA-N

Molecular Weight

284.38