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/c1ccc(O)cc1)c1ccc(Br)cc1

InChI InChI=1S/C15H11BrO2/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10,17H/b10-3+

InChIKey RJIFZRQOWIRRNC-XCVCLJGOSA-N

Molecular Weight

303.15