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SMILES to InChI

SMILES to InChI
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

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

Periodic Table Poster, 18-Column, English-Labeled
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A periodic table of the elements.

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.

Corannulene Molecule Poster, 2D Structure, English-Labeled
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A poster featuring the 2D structure of the corannulene molecule.

Monosaccharides Poster, English-Labeled
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A poster featuring the common monosaccharides.

InChIKey to SMILES

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

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.

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.

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