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Last Update: Translate SMILES string to USMILES and other file formats.
Home Resources & Support. Convert SMILES to 3D structure (.pdb, .mol or .sdf format) Input SMILES below. 1. Input SMILES: 2. Select a output format: Common formats for chemicals.
Utilities. Substructure search; SMILES generator / checker ... Menu; Home; Utilities. Substructure search; SMILES generator / checker
OPENBABEL - Chemical file format converter. Use open babel to convert most of the chemical formats. How to proceed ? Enter an input value, for example a SMILES like "CCCC". Select the "Input format", for example "smi". Select an output format, for example "mol".
This page lets you easily convert IUPAC names, common names, SMILES codes, CAS numbers, and other identifiers into chemical structures.
MOL (or MDL Molfile) is a chemical table file similarly used to reflect the chemical structure of a molecule. A MOL file contains the atoms in a molecule with their specified coordinates, as well as the bonds that each has to one another. This tool converts between SMILES and MOL format files.