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 CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1

InChI InChI=1S/C16H13ClO3S/c1-21(19,20)15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+

InChIKey BUWAZSGKUSQTBB-NYYWCZLTSA-N

Molecular Weight

320.8