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 Oc1ccc(-c2cc(-c3cccc(O)c3)cc(-c3cccc(O)c3)n2)cc1

InChI InChI=1S/C23H17NO3/c25-19-9-7-15(8-10-19)22-13-18(16-3-1-5-20(26)11-16)14-23(24-22)17-4-2-6-21(27)12-17/h1-14,25-27H

InChIKey NKXIOIWYDKKDMX-UHFFFAOYSA-N

Molecular Weight

355.39