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SMILES to InChI

SMILES (Simplified Molecular Input Line Entry System) and InChI (International Chemical Identifier) are two formats for representing chemical structures. They both identify chemical substances in a compact way and are widely used in cheminformatics.

This tool converts SMILES strings to InChI strings. Enter a SMILES string in the input box and the corresponding InChI string will be displayed below.

The SMILES string of the molecule.
The InChI string of the molecule.

See also

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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.

Helicene Molecule Poster, Ball-and-Stick Model, English-Labeled
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A poster featuring the ball-and-stick model of the helicene molecule.

Amino Acids Poster, English-Labeled
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InChIKey to SMILES

An online tool for converting (resolving) InChIKeys to SMILES strings.

Canonical SMILES Generator

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

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.

Awesome SMILES

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

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