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=C(/C=C/c1cccc2c1OCO2)c1cccc(Br)c1

InChI InChI=1S/C16H11BrO3/c17-13-5-1-4-12(9-13)14(18)8-7-11-3-2-6-15-16(11)20-10-19-15/h1-9H,10H2/b8-7+

InChIKey ILOCWNYSKAXEPW-BQYQJAHWSA-N

Molecular Weight

331.16