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=C1CC(c2cc(Cl)cc(Cl)c2)Oc2cc(O)cc(O)c21

InChI InChI=1S/C15H10Cl2O4/c16-8-1-7(2-9(17)3-8)13-6-12(20)15-11(19)4-10(18)5-14(15)21-13/h1-5,13,18-19H,6H2

InChIKey OMKIEBXONQNTMQ-UHFFFAOYSA-N

Molecular Weight

325.15