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 COc1ccc2oc(-c3ncc[nH]3)cc2c1.Cl

InChI InChI=1S/C12H10N2O2.ClH/c1-15-9-2-3-10-8(6-9)7-11(16-10)12-13-4-5-14-12;/h2-7H,1H3,(H,13,14);1H

InChIKey AOTPFRLWMUNPFG-UHFFFAOYSA-N

Molecular Weight

250.69