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

InChI InChI=1S/C16H16BNO5/c1-10(2)22-16(19)11-3-6-15(18-8-11)23-13-4-5-14-12(7-13)9-21-17(14)20/h3-8,10,20H,9H2,1-2H3

InChIKey FHBVGIUZVIHLLZ-UHFFFAOYSA-N

Molecular Weight

313.12