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 CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1c(C)cccc1C

InChI InChI=1S/C16H26NO4P/c1-7-20-22(19,21-8-2)16(5,6)17(18)12-15-13(3)10-9-11-14(15)4/h9-12H,7-8H2,1-6H3/b17-12-

InChIKey PXXDLNWPJVUFBY-ATVHPVEESA-N

Molecular Weight

327.36