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 CCCCCCCC1(c2ccccc2)NC(=O)NC1=O

InChI

InChI=1S/C16H22N2O2/c1-2-3-4-5-9-12-16(13-10-7-6-8-11-13)14(19)17-15(20)18-16/h6-8,10-11H,2-5,9,12H2,1H3,(H2,17,18,19,20)

InChIKey UKJJKBMGJSMVEV-UHFFFAOYSA-N

Molecular Weight

274.36