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 O=C(O)c1ccc(Oc2ccc3c(c2)COB3O)nc1

InChI InChI=1S/C13H10BNO5/c16-13(17)8-1-4-12(15-6-8)20-10-2-3-11-9(5-10)7-19-14(11)18/h1-6,18H,7H2,(H,16,17)

InChIKey WVARFNLPFXGESG-UHFFFAOYSA-N

Molecular Weight

271.04