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)C1Cc2cc(CP(=O)(O)O)ccc2CN1

InChI InChI=1S/C11H14NO5P/c13-11(14)10-4-9-3-7(6-18(15,16)17)1-2-8(9)5-12-10/h1-3,10,12H,4-6H2,(H,13,14)(H2,15,16,17)

InChIKey UGUXBGNWAIIBLN-UHFFFAOYSA-N

Molecular Weight

271.21