Home › Resources & tools › IUPAC to SMILES

IUPAC to SMILES

This tool converts IUPAC names to SMILES (simplified molecular-input line-entry system) strings.

Enter or paste a systematic IUPAC name of the molecule and click "Convert" to generate its corresponding SMILES string.

The IUPAC name of the molecule.
The SMILES string of the molecule.

To go from a SMILES string to an IUPAC name, use the SMILES to IUPAC converter.

See also

Big Chemical Elements
$29.99

A systematic, visual guide to the chemical elements.

Periodic Table Poster, 32-Column, English-Labeled
$19.99

A periodic table of the elements.

Big Chemical Structures
$29.99

A collection of elaborate, large-format chemical structure depictions. Discover the fine details of chemical structures in their own right.

Water Molecule Poster, Ball-and-Stick Model, English-Labeled
$19.99

A poster featuring the ball-and-stick model of the water molecule.

Monosaccharides Poster, English-Labeled
$19.99

A poster featuring the common monosaccharides.

SMILES to IUPAC

Convert SMILES to IUPAC name online.

SMILES Parse Tree Viewer

Visualize the parse tree of a SMILES string.

Awesome SMILES

A curated list of awesome resources on SMILES (simplified molecular-input line-entry system).

Canonical SMILES Generator

Convert a SMILES string to its canonical (kekulized) form.

SMILES to Structure

Convert SMILES (simplified molecular-input line-entry system) to a structure online.

All prices listed are in United States Dollars (USD). Visual representations of products are intended for illustrative purposes. Actual products may exhibit variations in color, texture, or other characteristics inherent to the manufacturing process.