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 CN(C)c1ccc(-c2nc3ccc([125I])cc3o2)cc1

InChI InChI=1S/C15H13IN2O/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3/i16-2

InChIKey ZDGRIJNRIGFCGI-RFLHHMENSA-N

Molecular Weight

362.19