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Structure Converter

Convert between different chemical structure formats including SMILES, InChI, IUPAC, MOL file, and 2D structure images.

Example inputs:
  • SMILES: CC(=O)O (Acetic acid)
  • InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
  • IUPAC: Acetic acid

Method, source and limitations

Method version: structure-convert-1.0
Calculation method
Parses one supported chemical structure format and serializes another.
Data source
RDKit chemical file and line-notation parsers.
Assumptions and limitations
Stereochemistry, aromaticity, charges, and metadata should be checked after conversion.
Verification example
Convert a valid SMILES to a mol block, then visually verify the result.

Verified Calculator · Last validated: 2026-07-28

Result guidance

How does this tool calculate the result?

Parses one supported chemical structure format and serializes another.

How should I interpret the result?

Stereochemistry, aromaticity, charges, and metadata should be checked after conversion.

How can I verify the result?

Convert a valid SMILES to a mol block, then visually verify the result.