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 C=Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12

InChI InChI=1S/C16H12N2O3/c1-2-10-7-13(20)8-14-15(10)16(21)18(9-17-14)11-3-5-12(19)6-4-11/h2-9,19-20H,1H2

InChIKey VHNLCUIJIAOHJY-UHFFFAOYSA-N

Molecular Weight

280.28