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 COc1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1

InChI InChI=1S/C22H16O4/c1-26-14-10-8-13(9-11-14)12-17-15-4-2-6-18(23)20(15)22(25)21-16(17)5-3-7-19(21)24/h2-12,23-24H,1H3

InChIKey YOBBUGFYHIXIAD-UHFFFAOYSA-N

Molecular Weight

344.37