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)cc(O)cc2nc(Cl)n1-c1ccc(O)cc1

InChI InChI=1S/C14H9ClN2O4/c15-14-16-10-5-9(19)6-11(20)12(10)13(21)17(14)7-1-3-8(18)4-2-7/h1-6,18-20H

InChIKey URULRIWANOWQSL-UHFFFAOYSA-N

Molecular Weight

304.69