Import a Structure File from ChemDraw

  • Updated

You may import a either a structure .mol file or SMILES string created in ChemDraw into CAS SciFinder's CAS Draw or ChemDoodle drawing tools.

.MOL File - CAS Draw and ChemDoodle

  1. In ChemDraw, save the structure drawing as an MDL MOL File (a .mol file type) to a location on your computer.
  2. In either CAS Draw or ChemDoodle, click the Import/Open icon.

    _SFn-CASDraw-ImportIcon.png
    _SFn-ChemDoodle-OpenIcon.png

  3. Click the Choose File button and navigate to the .mol file you saved to import.

    _SFn-CASDraw-ChooseFile.png _SFn-ChemDoodle-ChooseFile.png

  4. Select the file, and then click the Open button The structure will display in the selected drawing tool's workspace.

    _SFn-CASDraw-ChooseFile-OpenButton.png

SMILES String - CAS Draw

  1. In ChemDraw, draw the structure and then Select All.
  2. In the ChemDraw Edit menu, go to Copy As, and then select SMILES or use the shortcut Alt+Ctrl+C.
  3. In CAS Draw, paste the SMILES string in the input box at the top right by clicking the input box and pressing Ctrl+V. Note: You cannot use the right-click button to paste in the input box.

    _SFn-CASDraw-SMILESinInputBox.png

  4. Press Enter or click the Add to Editor icon.

    _SFn-CASDraw-AddToEditorIcon.png

The structure will then display in the CAS Draw workspace.

_SFn-CASDraw-SMILES-ConvertedToStructure.png