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)/C(=C/OC1(C#N)C=CC=CC1)C(=O)c1ccccc1Cl

InChI InChI=1S/C18H17ClN2O2/c1-21(2)16(17(22)14-8-4-5-9-15(14)19)12-23-18(13-20)10-6-3-7-11-18/h3-10,12H,11H2,1-2H3/b16-12+

InChIKey DANLQFHAYKDMKA-FOWTUZBSSA-N

Molecular Weight

328.8