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 CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O

InChI InChI=1S/C9H22BN3O3/c1-2-3-4-8(10(15)16)13-9(14)7(12)5-6-11/h7-8,15-16H,2-6,11-12H2,1H3,(H,13,14)/t7-,8-/m0/s1

InChIKey JAXKDVVQQUKJKR-YUMQZZPRSA-N

Molecular Weight

231.1