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 CC1(C)CCC(C)(C)c2cc(/C(=N/O)c3ccc(C(=O)O)cc3)c(Br)cc21

InChI

InChI=1S/C22H24BrNO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24-27)13-5-7-14(8-6-13)20(25)26/h5-8,11-12,27H,9-10H2,1-4H3,(H,25,26)/b24-19+

InChIKey FBJUMKRFTWRRAE-LYBHJNIJSA-N

Molecular Weight

430.34