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 CC1OCC2(CCN(C)CC2)O1

InChI InChI=1S/C9H17NO2/c1-8-11-7-9(12-8)3-5-10(2)6-4-9/h8H,3-7H2,1-2H3

InChIKey VHBBMEXIWWKUNY-UHFFFAOYSA-N

Molecular Weight

171.24