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 CCCCCOc1ccccc1C(O)CCCCCCC(=O)OC

InChI

InChI=1S/C20H32O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-8,11,13,15-16H2,1-2H3

InChIKey MQQIFKHDIFMBST-UHFFFAOYSA-N

Molecular Weight

336.47