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(C)(CCCOc1ccc(/C=C/c2ccsc2)cc1)C(=O)O

InChI

InChI=1S/C19H22O3S/c1-19(2,18(20)21)11-3-12-22-17-8-6-15(7-9-17)4-5-16-10-13-23-14-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,21)/b5-4+

InChIKey JWBIWNRKEKVJHI-SNAWJCMRSA-N

Molecular Weight

330.45