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Over 100 Million Chemical Structures

Accessing detailed structural information on chemical compounds is crucial for advancing chemical research and development, yet finding this data online can often pose challenges. Through our Chemical Compounds Deep Profiling Services (CC-DPS), we offer access to over 100 million chemical structures, complete with essential identifiers such as InChI, SMILES strings, IUPAC names, as well as both 2D and 3D images and MOL files. Our CC-DPS delivers over 2,100 sets of critical information for each chemical compound.

Search Chemical Structure

Enter compound to search for chemical structure:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

What’s Available

In addition to the structure information, basic molecular information such as formula, molecular weight, and chemical identifier, e.g., IUPAC name, SMILES String, InChI, etc., as well as 2-dimensional and 3-dimensional images are provided.

An interactive 3-dimensional visualization of the structure is also available, which can provide a better understanding of the structure for a complicated chemical compound by rotating and/or zooming the structure image. Various options including visualization of van der Waals and exporting to a image file are available as well.

Click the following link to visit an example page:

Example Page

Cholesterol Structure - C27H46O | Mol-Instincts