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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.

SMILES

The SMILES string of the molecule.

InChI

The InChI string of the molecule.

SMILES to InChI

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See also

SMILES to Structure

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

InChIKey to SMILES

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

Periodic Table Crossword

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SMILES to IUPAC

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