Skip to Main Content

Chemistry: Web resources

Chemistry Resources on the Internet - This is the recently redesigned gateway to scientific resources produced by the U.S. government. There are a number of important chemistry-related databases available here, including ChemWebBook, CHEMIDPlus, IRIS, CancerNet. etc. Many are searchable by compound name, CAS Registry Number, structure, etc.

NIST (National Institute of Standards and Technology)


International Chemical Identifier (InChI) 
InChI string/keys are text identifiers for small organic molecules, and are generated from structural diagrams.
There is generally no need for special drawing conventions.


More on InChI


SMILES - Simplified Molecular Input Line Entry Specification- is a compact machine and human-readable chemical nomenclature.


More on SMILES


Wikipedia page on SMILES