SMILES to Structure

This tool converts SMILES (simplified molecular-input line-entry system) to a 2D structure.

The structure depiction is generated immediately after you edit the SMILES string. You can save the result as a MOL file or SVG/PNG image.

Please reach out with any thoughts or if you have ideas for other cheminformatics tools you'd like to see here.

If you're a cheminformatics geek like me, you might also enjoy the daily cheminformatics crossword—a fun way to test and expand your knowledge of cheminformatics.

How to cite

Vasetenkov, A. (n.d.). SMILES to Structure. antvaset.com. Retrieved [today's date], from https://www.antvaset.com/smiles-to-structure

See also

• Canonical SMILES Generator - Convert a SMILES string to its canonical (kekulized) form.
• SMILES Parse Tree Viewer - Visualize the parse tree of a SMILES string.
• SMILES to Structure API - A web service for converting SMILES (simplified molecular-input line-entry system) to MOL.
• Awesome SMILES - A curated list of awesome resources on SMILES (simplified molecular-input line-entry system).
• SMILES to IUPAC - Convert SMILES to IUPAC name online.
• IUPAC to SMILES - Convert IUPAC names to SMILES strings.
• SMILES to InChI - Convert SMILES to InChI string online.
• InChIKey to SMILES - An online tool for converting (resolving) InChIKeys to SMILES strings.
• RDKit WASM - Running RDKit in the browser with WebAssembly.
• Awesome cheminformatics - A curated list of awesome cheminformatics resources.
• Cheminformatics Crossword - A daily crossword puzzle for cheminformatics terms.
• IUPAC to Structure - Convert IUPAC names to 2D structures.
• Mol Editor - An online editor for Mol files.
• IUPAC Multiplicative Prefix Generator - Generate IUPAC multiplicative prefixes for naming chemical compounds.
• Structural Formula Viewer - View structural formulas of chemical compounds.
• Working with ChemDraw JS - ChemDraw JS makes it possible to create, view, and edit chemical structures in the browser.
• Awesome ChemDraw - A curated list of awesome ChemDraw resources, tutorials, and more.
• 3D Mol Viewer - View molecular models in 3D.
• Chemical kerning - Improving the appearance of chemical structures by carefully adjusting the spacing between atoms and bonds.
• Big Chemical Structures - A collection of elaborate, large-format chemical structure depictions. Discover the fine details of chemical structures in their own right.
• Big Chemical Elements - A systematic, visual guide to the chemical elements.