InChI to SMILES

What is InChI to SMILES?

InChI to SMILES converts InChI (International Chemical Identifier) strings into SMILES using RDKit. InChI is a standardized, canonical chemical identifier developed by IUPAC — encoding molecular structure as a layered string such as InChI=1S/C9H8O4/.... SMILES is more widely accepted across cheminformatics tools, databases, and machine learning models. Converting InChI → SMILES is common when importing compounds from IUPAC-based databases or PubChem InChI exports into tools that expect SMILES input.

How to use InChI to SMILES online

ProteinIQ handles the conversion through RDKit on the server — no local installation of any cheminformatics toolkit is needed.

Input

Paste one InChI string per line, or use name<TAB>InChI pairs to preserve compound names in the output. Files in .txt, .csv, .tsv, or .inchi format are also accepted. Up to 10 entries are processed per job.

Output

Each entry produces an individual SMILES file. A combined TSV batch file is also generated listing all entries with their names and canonical SMILES strings.