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 CN1C(=O)c2ccc(Cl)cc2C2(CC(=O)NC2=O)C1=O

InChI InChI=1S/C13H9ClN2O4/c1-16-10(18)7-3-2-6(14)4-8(7)13(12(16)20)5-9(17)15-11(13)19/h2-4H,5H2,1H3,(H,15,17,19)

InChIKey NXVVCYVGZVGQBB-UHFFFAOYSA-N

Molecular Weight

292.68