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 COc1ccc(C(=O)OC2CC3CCCC2N3C)cc1

InChI InChI=1S/C16H21NO3/c1-17-12-4-3-5-14(17)15(10-12)20-16(18)11-6-8-13(19-2)9-7-11/h6-9,12,14-15H,3-5,10H2,1-2H3

InChIKey VZTTVKVJXPYGQK-UHFFFAOYSA-N

Molecular Weight

275.35