SMILES to 3D Structure Converter

Paste a SMILES string, generate a 3D structure with lightweight 3Dmol.js, and download in major image and structure formats.

File Format Explained

SMILES is a compact text representation of molecular connectivity. It is excellent for input, search, and database workflows, but it does not directly store a final 3D conformation.

3D structure formats such as SDF, XYZ, PDB, MOL, OBJ, and X3D store coordinates or renderable geometry. SDF and PDB are chemistry coordinate formats, XYZ is a simple atom-coordinate table, and OBJ/X3D are 3D model formats for visualization workflows. Use the XYZ / Gaussian to 2D converter when you need to turn coordinate files back into an inferred 2D drawing.

Generated 3D coordinates are useful for visualization and teaching. For docking, quantum chemistry, or publication-quality geometry, validate protonation, stereochemistry, conformer quality, and force-field optimization.