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 O=C1c2ccccc2C(=O)c2c1cc(-c1ccc(O)cc1)c(O)c2O

InChI InChI=1S/C20H12O5/c21-11-7-5-10(6-8-11)14-9-15-16(20(25)19(14)24)18(23)13-4-2-1-3-12(13)17(15)22/h1-9,21,24-25H

InChIKey GXMIAKBGTZNKSS-UHFFFAOYSA-N

Molecular Weight

332.31