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 CCS(=O)(=O)Nc1ccc(OCCNCC2COc3ccccc3O2)cc1.Cl

InChI

InChI=1S/C19H24N2O5S.ClH/c1-2-27(22,23)21-15-7-9-16(10-8-15)24-12-11-20-13-17-14-25-18-5-3-4-6-19(18)26-17;/h3-10,17,20-21H,2,11-14H2,1H3;1H

InChIKey QYMWDYNNAYSCKX-UHFFFAOYSA-N

Molecular Weight

428.94