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 Cc1nc([N+](=O)[O-])cn1S(=O)(=O)c1ccc(Cl)cc1

InChI InChI=1S/C10H8ClN3O4S/c1-7-12-10(14(15)16)6-13(7)19(17,18)9-4-2-8(11)3-5-9/h2-6H,1H3

InChIKey IZQYXMBXCHRCIQ-UHFFFAOYSA-N

Molecular Weight

301.71