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(O)CCc1cc(Br)c(OC2CCCCC2)c(Br)c1

InChI InChI=1S/C15H18Br2O3/c16-12-8-10(6-7-14(18)19)9-13(17)15(12)20-11-4-2-1-3-5-11/h8-9,11H,1-7H2,(H,18,19)

InChIKey UUPVEFMYALNSEQ-UHFFFAOYSA-N

Molecular Weight

406.11