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Home › Resources & Tools › IUPAC to SMILES

IUPAC to SMILES

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

Enter the 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.

IUPAC to SMILES
IUPAC to SMILES

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See also

1.
SMILES to IUPAC
Convert SMILES to IUPAC name online.
2.
Awesome SMILES
A curated list of awesome links, tutorials, and resources on SMILES (simplified molecular-input line-entry system).
3.
SMILES Parse Tree Viewer
Visualize the parse tree of a SMILES string.
4.
IUPAC to Structure
Convert IUPAC names to 2D structures.
5.
SMILES to Structure API
A web service for converting SMILES (simplified molecular-input line-entry system) to MOL.