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 [11CH3]Oc1cccc2c1CCN(CCCc1c[nH]c3ccc(I)cc13)C2

InChI

InChI=1S/C21H23IN2O/c1-25-21-6-2-4-16-14-24(11-9-18(16)21)10-3-5-15-13-23-20-8-7-17(22)12-19(15)20/h2,4,6-8,12-13,23H,3,5,9-11,14H2,1H3/i1-1

InChIKey BZXPKSLKLWOLEJ-BJUDXGSMSA-N

Molecular Weight

445.33