This is the standard citation style for chemistry.
There are many ways you can describe a compound in order to search for it within a database. Consider your options and what types of descriptions the particular database will accept. If you get zero results, try another way before moving on to another resource.
Chemical name/synonyms
Common/trivial name
Molecular formula
Empirical formula
Structure
CAS Registry Number
For example, consider ethanol:
ethanol
ethyl alcohol
ethyl hydroxide
C2H6O
H3C-CH2-OH
CAS# 64-17-15