ACD/Name—Generate Chemical Names from Structure

Full list of Features

Structure to Name

  • Generate accurate systematic names according to IUPAC recommendations and CAS Index rules
  • Generate chemically accurate structures from chemical names with the Name-to-Structure module
  • Assign stereodescriptors and numbering to atoms, and review stereo protocol that displays a "hierarchical graph" created for each atom with a stereodescriptor
  • Review the 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 (IUPAC naming only)
  • Draw the molecular structure or set of structures for naming using ACD/ChemSketch
  • Create InChI identifiers, generate structures from InChI labels, and interpret SMILES strings
  • Import up to 99 structures from SDfiles and automatically name them
  • Export structures and names as SDfiles
  • Generate names in 16 languages—English, Bulgarian, Croatian, Danish, Dutch, Finnish, French, German, Greek, Hungarian, Italian, Portuguese, Romanian, Slovenian, Spanish, and Swedish.*

Name to Structure

  • Generate chemical structures from the following names and identifiers:
    • 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
    • Incorrect names that do not strictly follow Organic Nomenclature rules
    • Some trade and registered names (INN, USAN, BAN, JAN)
    • CAS Registry and EU numbers
    • InChI and SMILES notations
  • Report warnings about ambiguous names or generate several possible structures
  • Accept chemical names both in uninverted and inverted forms (Index names), in formatted and unformatted text
  • Designate stereo configuration of chiral centers and double bonds
  • Assign numbers to atoms in the structure

Disclaimer: 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.
CAS Registry Number is a Registered Trademark of the American Chemical Society. CAS recommends the verification of the CASRNs through CAS Client ServicesSM.

* The development of naming in specific languages is ongoing and in some instances the generated name may deviate from local language recommendations. We recommend consulting nomenclature recommendations for your language to ensure accuracy.