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 CCCCCCCNC(=O)n1ccc(=O)[nH]c1=O

InChI InChI=1S/C12H19N3O3/c1-2-3-4-5-6-8-13-11(17)15-9-7-10(16)14-12(15)18/h7,9H,2-6,8H2,1H3,(H,13,17)(H,14,16,18)

InChIKey AKNCRBJIXCHIIB-UHFFFAOYSA-N

Molecular Weight

253.3