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 Cc1cccc(C(O)CNC(C)C)c1

InChI InChI=1S/C12H19NO/c1-9(2)13-8-12(14)11-6-4-5-10(3)7-11/h4-7,9,12-14H,8H2,1-3H3

InChIKey VHPYXWIPYRLYSB-UHFFFAOYSA-N

Molecular Weight

193.29