SMILES to Structure Converter | Molecular Visualization

SMILES (Simplified Molecular Input Line Entry System) is a text notation that describes chemical structures in a compact, human-readable format. It represents molecules as a string of characters, using letters to represent atoms (C for carbon, O for oxygen, etc.) and special characters to represent bonds and structures.

For example, water is represented as "O" (for a single oxygen atom with implicit hydrogens), ethanol as "CCO" (two carbon atoms connected by a single bond, with the second carbon connected to an oxygen), and benzene as "c1ccccc1" (a ring of six carbon atoms with aromatic bonds).

SMILES is widely used in chemical databases, computational chemistry software, and as a way to exchange structural information between different programs and platforms. It's a fundamental tool for chemists, biochemists, and drug designers.

Converting a SMILES string to a chemical structure is easy with our tool:

1. Enter your SMILES string in the input field (e.g., "CCO" for ethanol)
2. The conversion will happen automatically as you type
3. View the 2D structure on the left and 3D model on the right
4. Use the style buttons under the 3D model to change the visualization style
5. To export the structure, use the buttons in the "Export Options" section

You can also try common examples by clicking on the provided example buttons like "Ethanol", "Benzene", etc.

Our SMILES converter supports exporting to several common chemical file formats:

• MOL file (.mol) - Chemical structure format that contains atom coordinates, bond information, and connectivity data
• SDF file (.sdf) - Enhanced MOL format that can also store additional data fields and multiple structures
• SVG image (.svg) - Vector graphics format of the 2D structure, ideal for publication and editing in graphics software

These formats are compatible with most chemical structure software, molecular modeling programs, and cheminformatics tools. The MOL and SDF formats preserve 3D coordinates and can be used for further computational analysis.

Writing SMILES for complex molecules follows these key principles:

• Atoms are represented by their atomic symbols (C, N, O, etc.)
• Single bonds are implied between adjacent atoms and don't need explicit notation
• Double bonds are represented by "=" (e.g., "C=O" for a carbonyl)
• Triple bonds are represented by "#" (e.g., "C#N" for a nitrile)
• Branches are enclosed in parentheses (e.g., "CC(=O)O" for acetic acid)
• Rings are indicated by matching numbers after atoms (e.g., "c1ccccc1" for benzene)
• Aromatic atoms are lowercase (c, n, o, etc.)

For more complex structures, consider using a chemical structure drawing program to generate SMILES notation automatically. There are also online SMILES validators that can check if your notation is correct.

SMILES offers several advantages over other chemical notations:

• Compactness - Represents complex structures with short text strings
• Human-readability - Easier to interpret than many other notations
• Machine-processability - Easily parsed by software
• Uniqueness - Canonical SMILES provide a unique identifier for each structure
• Versatility - Can represent virtually any organic or inorganic molecule
• Ubiquity - Widely supported by chemical software and databases

While InChI notation provides better standardization for database purposes, SMILES is generally preferred for everyday use by chemists due to its readability and compactness. Other notations like IUPAC names are more formal but considerably longer and more complex.