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.

See also

• 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 Parse Tree Viewer - Visualize the parse tree of a SMILES string.
• SMILES to Structure - Convert SMILES (simplified molecular-input line-entry system) to a structure online.
• SMILES to Structure API - A web service for converting SMILES (simplified molecular-input line-entry system) to MOL.
• Awesome SMILES - A curated list of awesome resources on SMILES (simplified molecular-input line-entry system).
• SMILES to IUPAC - Convert SMILES to IUPAC name online.
• IUPAC to SMILES - Convert IUPAC names to SMILES strings.
• RDKit WASM - Running RDKit in the browser with WebAssembly.
• Awesome cheminformatics - A curated list of awesome cheminformatics resources.
• Cheminformatics Crossword - A daily crossword puzzle for cheminformatics terms.
• IUPAC to Structure - Convert IUPAC names to 2D structures.
• Mol Editor - An online editor for Mol files.
• Organic chemistry pronunciation guide - A pronunciation guide for organic chemistry terms.
• IUPAC Multiplicative Prefix Generator - Generate IUPAC multiplicative prefixes for naming chemical compounds.
• Structural Formula Viewer - View structural formulas of chemical compounds.
• Working with ChemDraw JS - ChemDraw JS makes it possible to create, view, and edit chemical structures in the browser.
• 3D Mol Viewer - View molecular models in 3D.
• Molecule of the Day - Discover a new molecule every day.
• Periodic Table - View the periodic table of the elements.
• Supramolecular chemistry pronunciation guide - A pronunciation guide for terms in supramolecular chemistry.
• Chemical elements pronunciation guide - A pronunciation guide for chemical elements.
• Biochemistry pronunciation guide - A pronunciation guide for biochemistry terms.