CAS Structure Editor

About the Standalone CAS Structure Editor

Although installing and using the latest version of Java seems to resolve issues affecting the structure editor in SciFinder, CAS offers a downloadable, standalone editor for customers not able to use the Java based editor or those still experiencing problems.

This version can be used in conjunction with SciFinder. You can create structure queries offline and then import them to SciFinder.

The standalone version is being offered for Windows and Macintosh platforms.

Downloading and Installing the Standalone CAS Structure Editor

(Note: Customers in China should contact your local iGroup SciFinder Sales representative.)

  • Download the Windows installer (~31MB exe file, requires ~97MB disk space).
  • Download the Macintosh version (~60MB dmg file, requires ~150MB disk space for OS X 10.7.3 and newer, and ~7MB disk space on OS X 10.6.8 - 10.7.2 which use Apple supplied Java).
  • Installation is designed to be per-user. Administrator or special privilege is not required, but please consult with your organization's SciFinder account administrator or IT department in case your organization's software policies differ.
  • Follow the on-screen installation instructions or these general installation steps for Windows or Macintosh.

You will be asked to accept the following license terms:

This software is distributed by Chemical Abstracts Service (“CAS”), a division of the American Chemical Society (“ACS”) for the sole purpose of use with SciFinder®. By downloading this software, you agree your usage of the software is governed pursuant to your organization’s existing SciFinder License Agreement. Any other use, or redistribution of the software outside of your organization, is prohibited. You are prohibited from making any modifications, adaptations, enhancements, changes, or derivative works of the software. This software is the proprietary product of ACS/CAS and ACS/CAS retains all copyright and ownership interest in the software. Copyright 2013 © American Chemical Society. All Rights Reserved.

Using the Standalone CAS Structure Editor

  • Launch the CAS Structure Editor. Do this simultaneously with SciFinder if you wish to immediately import and search your structure.
  • Use the standalone editor to draw structures just as you would use the Java based editor in SciFinder (Note that SMILES, InChI, and CAS Registry Number conversions are not supported in the standalone editor. The status bar with molecular formula and weight is not included in the standalone editor. )
  • If desired, enable automatic Valency Checking in Preferences (the standalone editor performs no other validations).
  • When you are finished drawing your structure, click the Export icon and save it as a cxf file.

export structure from CAS Structure Editor

  • In SciFinder, go to Explore Substances -> Chemical Structure and use the Import CXF function to locate and import your cxf file. Select the type of structure search you wish to conduct and then click Search. Similarly, for a reaction search go to Explore Reactions -> Reaction Structure to import your query.

Import cxf structure file in SciFinder

  • Search results are presented in the usual manner. You can then view and work with answer sets in SciFinder.
  • If you need to modify or refine the structure you must return to the standalone CAS Structure Editor.