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 COC(=O)c1ccccc1OCC(O)CNCCNC(=O)C(C)C

InChI

InChI=1S/C17H26N2O5/c1-12(2)16(21)19-9-8-18-10-13(20)11-24-15-7-5-4-6-14(15)17(22)23-3/h4-7,12-13,18,20H,8-11H2,1-3H3,(H,19,21)

InChIKey NMQIERXYQDIRGD-UHFFFAOYSA-N

Molecular Weight

338.4