The Reference substance contains all information necessary to identify a substance and the composition of the substance. A number of different identifiers are available to specify the chemical identity.
It is possible to specify:
EC inventory information (D.12.1 What is an EC Inventory?) as published in the official Journal:
EC number
CAS number
EC name
Molecular formula
Description
CAS information
CAS number
CAS name
IUPAC name (International Union of Pure and Applied Chemistry)
Synonyms
Description
Related CAS information
Molecular and structural information
Molecular formula
Molecular weight
SMILES notation (Simplified Molecular Input Line Entry System)
InChI formula (IUPAC International Chemical Identifier)
Structural formula
The Reference substance data are always part of the Reference substance inventory.