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 CC(C)[C@H](N)C(=O)N1CSC[C@H]1B(O)O

InChI InChI=1S/C8H17BN2O3S/c1-5(2)7(10)8(12)11-4-15-3-6(11)9(13)14/h5-7,13-14H,3-4,10H2,1-2H3/t6-,7-/m0/s1

InChIKey IAXFZVFUACWVDO-BQBZGAKWSA-N

Molecular Weight

232.11