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 CCCCC(O)(C#CC1(OC)CN2CCC1CC2)c1ccccc1

InChI

InChI=1S/C21H29NO2/c1-3-4-12-20(23,18-8-6-5-7-9-18)13-14-21(24-2)17-22-15-10-19(21)11-16-22/h5-9,19,23H,3-4,10-12,15-17H2,1-2H3

InChIKey DVSLSPWSCJLOGG-UHFFFAOYSA-N

Molecular Weight

327.47