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 CCCCCC1(c2ccccc2)NC(=O)NC1=O

InChI InChI=1S/C14H18N2O2/c1-2-3-7-10-14(11-8-5-4-6-9-11)12(17)15-13(18)16-14/h4-6,8-9H,2-3,7,10H2,1H3,(H2,15,16,17,18)

InChIKey QAGRPVFBAXEFAM-UHFFFAOYSA-N

Molecular Weight

246.31