How to convert SMILES to SDF/Mol file and view the molecule 2D or 3D structure?

To help you converting SMILES to SDF/Mol file and view the 2D or 3D molecule structure, FYIcenter.com provides this SMILES to SDF/Mol Online Converter tool. All you need to do is to:

• Enter a SMILES string and click the "Submit" button.
• Modify the molecule in the editor and click the "Update" button.
• View the 2D or 3D structure and click the "Download" button to get SDF file.

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Enter SMILES below:
c1ccccc1

Submit

Update

Molecule properties and structures prepared by FYIcenter.com:

Molecule ID: FYI-1002017  Edit

Molecule Names: BENZENE;

Molecule Structure InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccccc1

Download SDF Download SVG Structure in 2D SDF: ➜ Text

FYI-1002017 FYIcenter.com 6 6 0 0 0 0 0 0 0 0999 V2000 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 M END $$$$

Download SDF Structure in 3D SDF: ➜ Text

FYI-1002017-3D FYIcenter.com 12 12 0 0 0 0 0 0 0999 V2000 -1.2131 -0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 0.7064 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0104 1.3948 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 -0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2131 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1577 -1.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 1.2564 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 -2.4809 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 2.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1394 -1.2563 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1577 1.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 M END $$$$

Third party libraries used in this tool: "JSME Molecule Editor" by Peter Ertl and Bruno Bienfait, "3Dmol.js" by University of Pittsburgh, and "Open Babel: The Open Source Chemistry Toolbox" by Open Babel Developers.

 

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