CAS Number to SMILES Converter
Enter a CAS Registry Number and resolve the matching compound record to SMILES, IUPAC name, formula, molecular weight, and PubChem CID.
Quick answer: Type a CAS number such as 50-00-0, 64-17-5, or 7732-18-5. The tool searches PubChem synonyms and returns the best matching SMILES record.
Examples
SMILES output appears here.
CAS Number Lookup Notes
CAS numbers are registry identifiers, not structure strings. This converter resolves a CAS number through public PubChem synonym records, then reads the associated SMILES and chemical metadata.
- Use the hyphenated CAS format, for example 64-17-5.
- If a CAS number has multiple salts, mixtures, or supplier variants, verify the returned compound.
- For drawing, use the related CAS to Structure tool.