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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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