Format
Name |
File
Extension |
Input 1) |
Output |
Comment |
|---|
| ACD/Labs Structure |
*.sk2 |
 |
|
ACD/Labs standard format for structures and reports |
| Adobe Acrobat |
*.pdf |
|
|
Adobe portable document format (PDF) |
| MDL molfile |
*.mol |
|
|
Industry standard for molecular structures |
| MDL extended (V3000) molfile |
*.mol |
|
|
Industry standard for molecular structures with extended R-groups |
| MDL SDfile |
*.sdf |
|
|
Restricted version of ACD/ChemFolder [SDfile Viewer] |
| MDL SDfile (freeware) |
*.sdf |
|
|
Requires ChemBasic Goodies SDF2SK.bas and ExpSDF.bas |
| ChemDraw |
*.chm |
|
|
ChemDraw version 4.0 & earlier, from CambridgeSoft |
| ChemDraw |
*.cdx |
|
|
ChemDraw version 4.0 & later, from CambridgeSoft |
| ISIS Sketch |
*.skc |
|
|
Useful for ISIS/Draw, Base, and Host |
| MDL rxnfile |
*.rxn |
|
|
REACCS Rxn format |
| InChI |
|
|
|
Generates InChI for structure and a structure from InChI |
| SMILES |
|
|
|
Generates Structure from SMILES or SMILES from structure |
| Chemical Markup Language |
*.cml |
|
|
Similar to CHIME or RasMol |
| GIF Bitmap |
*.gif |
|
|
For display and exporting graphics |
| PNG image format |
*.gif |
|
|
For display and exporting graphics |
| JPG image format |
*.gif |
|
|
For display of graphics |
| Windows Bitmap |
*.bmp, *.dib |
|
|
The Windows Bitmap import command is only available in the ChemSketch drawing window |
| Paintbrush |
*.pcx |
|
|
For exporting graphics |
| TIFF Bitmap |
*.tif |
|
|
For exporting graphics |
| HTML |
*.html |
|
|
Requires ChemBasic Goodie SK2VRML.bas; read FillTmp.doc first |
| Windows Metafile |
*.wmf |
|
|
Standard Windows vector picture format |
| ChemSketch 1.0 |
*.mst |
|
|
Very early ChemSketch—molecular structure format |
| ChemSketch 1.0 |
*.rtp |
|
|
Very early ChemSketch—report format |
