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 COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1

InChI

InChI=1S/C26H31NO5/c1-20-8-6-9-21(18-20)19-32-23-11-5-4-10-22(23)30-16-14-27-15-17-31-26-24(28-2)12-7-13-25(26)29-3/h4-13,18,27H,14-17,19H2,1-3H3

InChIKey OYHGPJOLAUFAHT-UHFFFAOYSA-N

Molecular Weight

437.54