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 NP(=O)(OCc1c(F)cc([N+](=O)[O-])cc1F)N(CCCl)CCCl

InChI InChI=1S/C11H14Cl2F2N3O4P/c12-1-3-17(4-2-13)23(16,21)22-7-9-10(14)5-8(18(19)20)6-11(9)15/h5-6H,1-4,7H2,(H2,16,21)

InChIKey XOVXVZDTUATFHL-UHFFFAOYSA-N

Molecular Weight

392.13