ACD/Name

New! ACD/Index name module supports recently changed CAS
nomenclature rules

Key Capabilities

ACD/Name allows chemists to:

• Generate accurate systematic names according to IUPAC recommendations on Nomenclature of Organic Chemistry and CAS Index rules for almost any organic structure and selected classes of biochemical, organometallic, and inorganic structures.
• Use the ACD/Name to Structure module to generate chemically accurate structures from names.
• Assign stereodescriptors and numbering to atoms, and review stereo protocol that displays a "hierarchical graph" created for each atom with a stereodescriptor.
• Review full text of basic IUPAC nomenclature recommendations with examples.
• Dynamically display the nomenclature rules used to name the particular structure, for easy manual examination.
• Set up nomenclature preferences, and language for the IUPAC name.
• Draw the molecular structure or set of structures for naming using our award-winning ACD/ChemSketch interface.
• Create InChI identifiers, generate structures from InChI labels, and interpret SMILES.
• Store and load generated names with structures from special history files.
• Import up to 99 structures from MDL SDfiles and automatically name them.
• Export structures and names as MDL SDfiles.

IUPAC Name module:

Each generated name is provided with a logical scheme ("tree") showing the sequence of application of different IUPAC recommendations in the derivation of its name. Each rule application to your molecule is hyperlinked to the IUPAC Rules so that you can view the exact wording of each IUPAC rule used with the click of a button.

ACD/Name includes a searchable hyperlinked online version of IUPAC organic nomenclature recommendations:

1. International Union of Pure and Applied Chemistry, Organic Chemistry Division, Commission on Nomenclature of Organic Chemistry, Nomenclature of Organic Chemistry, Sections A, B, C, D, E, F and H, 1979 Edition , J. Rigaudy and S. P. Klesney, eds., Pergamon Press, Oxford, 1979.
2. International Union of Pure and Applied Chemistry, Organic Chemistry Division, Commission on Nomenclature of Organic Chemistry (III.1), A Guide to IUPAC Nomenclature of Organic Compounds (Recommendations 1993), R. Panico, W.H. Powell and Jean-Claude Richer, eds., Blackwell Scientific Publications, Oxford, 1993.
3. International Union of Pure and Applied Chemistry and International Union of Biochemistry and Molecular Biology, Joint Commission on Biochemical Nomenclature, Nomenclature of Carbohydrates (Recommendations 1996), Pure & Appl. Chem., Vol. 68, pp. 1919-2008 (1996).

Each IUPAC rule is provided with examples of its application, allowing you to learn more about IUPAC naming rules.

Index Name module:

Each generated name is provided with a logical scheme ("tree") showing the sequence of application of different CAS rules according to:

American Chemical Society. Chemical Abstracts Service, "Naming and Indexing of Chemical Substances for Chemical Abstracts, Appendix IV", Chemical Abstracts Index Guide, Columbus: American Chemical Society.

Note:

Index naming algorithms have been developed by ACD/Labs alone and CAS makes no warranty or guarantee about its effectiveness or accuracy. If you require chemical substance names for reporting to regulatory agencies, they should be manually checked or obtained directly from CAS.

Name to Structure module:

• Generates chemical structures from the following name types:
  • Systematic names of most classes of general organic compounds.
  • Derivatives of more than 180 basic natural product parent structures.
  • Semi-systematic and trivial names of common organic compounds.
  • Systematic names of some coordination compounds and polymers.
  • Incorrect names that do not strictly follow Organic Nomenclature rules.
• Searches the trivial or trade names, abbreviations and registry numbers in ACD/Dictionary. and generates structures for some derivatives of found structures.
• For ambiguous names generates several possible structures or adds a message about ambiguity.
• Accepts chemical names both in uninverted and inverted forms (Index names), in formatted and unformatted text.
• Pastes generated structures with numbering into ACD/ChemSketch.

• Generates and pastes chemical structures directly into Microsoft Word documents.
• Designates stereo configuration of chiral centers and double bonds.
• Assigns numbers to atoms in the structure.
• Reports warnings about possible ambiguity of chemical names.