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 CCCCCCCCCCCCS(=O)(=O)NCCCNCCCNCCCCNCCCN

InChI

InChI=1S/C25H57N5O2S/c1-2-3-4-5-6-7-8-9-10-13-25-33(31,32)30-24-16-23-29-22-15-21-28-19-12-11-18-27-20-14-17-26/h27-30H,2-26H2,1H3

InChIKey AUNHLJHKKWJWDE-UHFFFAOYSA-N

Molecular Weight

491.83