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 N=C(N)NS(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O

InChI InChI=1S/C8H5Br4N3O4S/c9-2-1(7(16)17)6(5(12)4(11)3(2)10)20(18,19)15-8(13)14/h(H,16,17)(H4,13,14,15)

InChIKey LJXMKECWBSWYOK-UHFFFAOYSA-N

Molecular Weight

558.83