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 CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(C#N)cc21

InChI

InChI=1S/C18H16Cl2N2/c1-22-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-21)8-15(14)18/h2-4,6,8-9,13,18,22H,5,7H2,1H3/t13-,18-/m0/s1

InChIKey CROGUKBPHFMYKB-UGSOOPFHSA-N

Molecular Weight

331.25