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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.

API access is available for this IUPAC-to-SMILES tool. Inquire to learn more about pricing and terms.

See also

Big Chemical Elements
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A systematic, visual guide to the chemical elements.

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

Citric Acid Molecule Poster, 2D Structure, English-Labeled
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A poster featuring the 2D structure of the citric acid molecule.

Amino Acids Poster, English-Labeled
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A poster featuring the 20 standard amino acids.

SMILES to IUPAC

Convert SMILES to IUPAC name online.

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.

SMILES to Structure

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

Canonical SMILES Generator

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

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