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Chemical Structure Converter

Convert between SMILES, IUPAC Names, InChI, and Molfile formats

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2D Structure

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Structure will appear here

Enter a chemical identifier and click Convert


                


                
                

                    
                    
                

            

        


        
        
    


    

        

            
Examples: Convert SMILES, IUPAC, InChI

            

                

                    
SMILES → InChI

                    
    
                        
  1. Input: CCO (ethanol), select SMILES.
    2. 
                        
  2. Click Convert to get InChI and IUPAC name.
    3. 
                        
  3. Expect InChI starting with InChI=1S/C2H6O...
    4. 
                    

                

                

                    
IUPAC → SMILES

                    
    
                        
  1. Input: acetylsalicylic acid, select IUPAC.
    2. 
                        
  2. Convert to get canonical SMILES and structure preview.
    3. 
                        
  3. Use Copy buttons to reuse the outputs.
    4. 
                    

                

                

                    
InChI → Molfile

                    
    
                        
  1. Paste a valid InChI (e.g., for benzene).
    2. 
                        
  2. Convert to generate V2000/V3000 mol file text.
    3. 
                        
  3. Download or copy the molfile for cheminformatics tools.
    4.