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=c1c2ccc(O)cc2oc2c1oc1ccc(O)cc12

InChI InChI=1S/C15H8O5/c16-7-2-4-11-10(5-7)14-15(19-11)13(18)9-3-1-8(17)6-12(9)20-14/h1-6,16-17H

InChIKey YAVSUYZJNCRZIP-UHFFFAOYSA-N

Molecular Weight

268.22