IUPAC Name to SMILES Converter

Convert IUPAC names or PubChem compound names to SMILES. Useful for turning literature names into structure strings.

File Format Explained

IUPAC names are formal chemical names designed to describe structure systematically. They are useful in publications and teaching, but long names can be hard to paste into software workflows.

SMILES is a compact structure string used by drawing tools, databases, cheminformatics scripts, and converters. Converting IUPAC to SMILES helps turn a literature name into a machine-readable structure.

Name resolution works best for unambiguous, recognized names. Salts, mixtures, stereochemistry, common names, and spelling variations may return no result or a different record.