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=C1c2c(O)cccc2C(=Cc2ccc(O)c(O)c2)c2cccc(O)c21

InChI InChI=1S/C21H14O5/c22-15-8-7-11(10-18(15)25)9-14-12-3-1-5-16(23)19(12)21(26)20-13(14)4-2-6-17(20)24/h1-10,22-25H

InChIKey HAOIGARVPBUDHU-UHFFFAOYSA-N

Molecular Weight

346.34