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 OC1(c2ccccc2)CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1

InChI

InChI=1S/C26H26N2O3S/c29-26(20-6-2-1-3-7-20)14-16-28(17-15-26)18-19-30-21-10-12-22(13-11-21)31-25-27-23-8-4-5-9-24(23)32-25/h1-13,29H,14-19H2

InChIKey SUNOKJAPKRXALX-UHFFFAOYSA-N

Molecular Weight

446.57