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Home › Resources & Tools › 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.
SMILES to InChI
SMILES to InChI

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See also

1.
SMILES to Structure
Convert SMILES (simplified molecular-input line-entry system) to a structure online.
2.
InChIKey to SMILES
An online tool for converting (resolving) InChIKeys to SMILES strings.
3.
Periodic Table Crossword
A daily crossword puzzle for chemical elements.
4.
Cheminformatics Crossword
A daily crossword puzzle for cheminformatics terms.
5.
SMILES to IUPAC
Convert SMILES to IUPAC name online.
6.
Canonical SMILES Generator
Convert a SMILES string to its canonical (kekulized) form.