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 COC(=O)c1ccccc1OCC(O)CNCCNS(=O)(=O)N(C)C

InChI

InChI=1S/C15H25N3O6S/c1-18(2)25(21,22)17-9-8-16-10-12(19)11-24-14-7-5-4-6-13(14)15(20)23-3/h4-7,12,16-17,19H,8-11H2,1-3H3

InChIKey BWBZOQDXTSVFLD-UHFFFAOYSA-N

Molecular Weight

375.45