I Lab Services 
4.12.2.3  New Functional Groups Names 
This allows the user to specify the usage of suffixes and prefixes based on either A Guide to 
Nomenclature of Organic Compounds (Recommendations 1993) or Nomenclature of 
Organic Chemistry, 1979 ed. (Blue book).  For example:  
H C
S
3
O
HS
OH
Yes 
2 (methylsulfanyl) 3 sulfanylpropanoic acid 
No 
3 mercapto 2 (methylthio)propanoic acid 
4.12.3 Structure Tab 
The third set of preferences to be decided upon is the Structure.  It specifies the preferred stereo 
conventions which will be used in name generation. 
Note 
In order for the stereochemistry of a chiral center of a sketched in molecule to be 
decided, the active centers must be designated with stereo bonds. 
4.12.3.1 Ignore Stereochemistry 
Specifies whether to ignore configuration of carbon centers and carbon carbon double bonds or 
to take them into account and attribute corresponding stereodescriptors.  In the last case an 
asymmetric site will have its stereochemistry explicitly denoted in its name.  
For example: 
CH
3
H C
3
CH
3
H C
3
OH
Yes 
2 butene 2 butanol 
No 
(2Z) 2 butene (2R) 2 butanol 
4.12.3.2  Stereo Wedge Direction 
This allows you to choose between two possible procedures of stereo bond analysis.  
If yes is chosen, the  up  and  down  wedges which specify stereo centers will be analyzed with 
regard to their directions (depending on which atom a narrow end is attached).  
If no is chosen, the sign ( up  or  down ) of the stereo wedge doesn't depend on the direction. 
For example: 
Cl
Cl
H C
3
H C
3
CH
3
CH
3
Yes 
(2R) 2 chlorobutane (2S) 2 chlorobutane 
No 
(2R) 2 chlorobutane (2R) 2 chlorobutane 
ACD/I Lab via ChemSketch  
User's Guide 
36 






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