Chemical Names and Structures
- Beilstein Crossfire
- Database of millions organic structures and reactions, with associated chemical properties and corresponding source literature references back to 1779. Available to UT-affiliated persons using the Beilstein Commander client software.
- ChemBioFinder.com
- Database of more than 500,000 compounds cataloged and linked to other web sites. Searchable by name, formula, CAS registry number, molecular weight, and structure (plugin required). Searches retrieve the Name, MW, molecular formula, CAS #, SMILES & InCHI strings. References to other CambrideSoft fee-based databases are also provided. Registration required after 5 searches. (Formerly known as ChemFinder.)
- ChemExper Chemical Directory
- CCD contains records for over 40,000 chemical structures, 16,000 MSDS, and more than 100,000 products with various property and supplier information. The directory can be searched by registry number, molecular formula, chemical name or synonyms in different languages as well as by physical and chemical characteristics and combinations of those data. The CCD may also be searched by substructure. Includes IR spectra and 3D models via web applets. The data are submitted from various sources and should not be considered critically evaluated.
- Chemical Structure Lookup Service
- Look up whether a structure occurs in various different databases, both public and commercial. Search input must be InChIs, FICuS or uuuuu identifiers, molecular formulas, SMILES, or IDs used in the original individual database. (NIH)
- ChemIDplus
- ChemIDplus is a free, web-based search system that provides access to structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases. ChemIDplus also provides structure searching and direct links to many biomedical resources at NLM and on the Internet for chemicals of interest. The database contains over 350,000 chemical records, of which over 80,000 include chemical structures, and is searchable by Name, Synonym, CAS Registry Number, Molecular Formula, Classification Code, Locator Code, and Structure. Structure display requires the Chime plugin. (National Library of Medicine)
- ChemSynthesis
- Free database of chemical compounds with synthesis references and some physical properties.
- Combined Chemical Dictionary
- Database containing detailed information on over 500,000 chemical substances and their derivatives. It includes descriptive and numerical data on the chemical, physical, spectral and biological properties of compounds; systematic and common names of compounds; literature references; structure diagrams and their associated connection tables. Contains all compounds published in: Dictionary of Organic Compounds (269,000 records); Dictionary of Natural Products (178,000 records); Dictionary of Inorganic and Organometallic Compounds (103,000 records); Dictionary of Drugs (44,000 records); Dictionary of Analytical Reagents (14,000 records).
Requires installation of a plug-in (Windows only) to view and search structures.
- ESIS: European Chemical Substances Information System
- Information related to EU regulatory inventories such as EINECS, HPVCs, IUCLID, etc.
- Heterocycles Database
- A database of nearly 50,000 natural products with a heterocyclic ring system whose structure has been established, collected from current chemical literature 1975-. See also the complementary Synthesis database. (Heterocycles)
- IUPAC Nomenclature of Organic Chemistry
- This searchable HTML reproduction of Sections A, B and C of the 1979 IUPAC "Blue Book" (Pergamon, 1979) is as close as possible to the published version. Also includes A Guide to IUPAC Nomenclature of Organic Compounds (Recommendations 1993) (Blackwell, 1993).
- IUPAC - Recommendations on Organic & Biochemical Nomenclature, Symbols & Terminology
- Full text and updates to IUPAC and IUBMB recommendations.
- IUPAC - InChI
- InChI (International Chemical Identifier) is a new non-proprietary identifier for chemical substances that can be used in printed and electronic data sources. Source code and documentation can be downloaded upon license agreement. See also InChI.info.
- Organic Compounds Database
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Database of 2500 organic compounds, searchable by melting/boiling points, nD20, element counts, UV and MS peaks, etc. Intended to assist undergraduates in organic labs identifying unknowns.
- Named Reagents
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Structure diagrams and references for some important reagents. (Univ. of Wisconsin)
- Organic Syntheses Online
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Organic Syntheses presents annual collections of detailed, reliable, and carefully checked procedures for the synthesis of organic compounds. Some procedures describe practical methods for the preparation of specific compounds of interest, while other procedures illustrate important synthetic methods with general utility. Each procedure is written in considerably more detail as compared to typical experimental procedures in other journals, and each reaction and all characterization data has been carefully "checked" for reproducibility. Requires ChemDraw plugin for structure searching and display.
- SciFinder Scholar - Registry
- Search the CAS Registry database, which contains structure, name, and property information for many millions of substances registered by Chemical Abstracts. Searchable by exact or substructure.
- Sigma-Aldrich Catalog
- Searchable product catalog from a major research chemical supplier. Search by catalog number, name, formula, CAS registry number. Chemical/physical information, structure image, FT-IR and NMR spectra, and MSDS are displayable. Registration is required to view some information.
- SMILES Translator
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NIH site that allows input of chemical structure (via JME applet) or SMILES (Simplified Molecular Input Line Entry System) string, translated to a SMILES output for various formats and purposes.
- WebReactions
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Structure search of organic reactions in four databases containing a total of over 391,000 reactions. Each reaction hit is linked to the primary literature.
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Chemical Names & Structures 
