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(=O)C1(C)CC2c3ccccc3C1c1ccccc12)c1nccs1

InChI

InChI=1S/C22H20N2OS/c1-22(20(25)24(2)21-23-11-12-26-21)13-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-12,18-19H,13H2,1-2H3

InChIKey OODSITSYQDCJCK-UHFFFAOYSA-N

Molecular Weight

360.48