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ChemistryFunctions

Guides

  • Wolfram Chemistry Functions

Symbols

  • AtomSelector3D
  • AtomSelector
  • BohrModelPlot
  • ChemicalFormulaQ
  • ChemicalReactionQ
  • ConstitutionalIsomersQ
  • DiastereomersQ
  • EmbeddedMoleculeQ
  • EmpiricalFormula
  • EmptyMoleculeQ
  • EnantiomersQ
  • EpimersQ
  • FormatMoleculesAsGraphics
  • HydrocarbonQ
  • ImportComputationalChemistryData
  • IonCounts
  • MoleculeDelete
  • MoleculeGridPlot3D
  • MoleculeGridPlot
  • MoleculeJoin
  • MoleculeManipulate3D
  • MoleculeManipulate
  • MoleculeMirrorPlot3D
  • MoleculePatternQ
  • MoleculePlotOptions
  • MoleculeScaffold
  • MoleculeSubstructureMatches
  • PatternReactionQ
  • PeriodicTablePlot
  • RandomMolecule
  • RingMoleculeQ
  • RingPattern
  • SmilesPlot
  • StereoisomersQ
WolframChemistry`ChemistryFunctions`
ConstitutionalIsomersQ
​
ConstitutionalIsomersQ
[
m
1
,
m
2
]
returns
True
if
m
2
is a constitutional isomer of
m
1
.
​
​
ConstitutionalIsomersQ
[m]
represents an operator form of
ConstitutionalIsomersQ
that can be repeatedly used on molecules.
​
Details and Options

Examples  
(1)
Basic Examples  
(1)
Test if two molecules are constitutional isomers:
In[1]:=
ConstitutionalIsomersQ
[Molecule["hexane"],Molecule["isohexane"]]
Out[1]=
True
Find all molecules with the formula
C
6
H
6
:
In[2]:=
mols=FindIsomers
C
6
H
14

Out[2]=
In[3]:=
ConstitutionalIsomersQ
[First[mols]]/@Rest[mols]
Out[3]=
{True,True,True,True}
SeeAlso
MoleculeQ
 
▪
StereoisomersQ
 
▪
MoleculeMatchQ
 
▪
IsomorphicGraphQ
RelatedGuides
▪
Wolfram Chemistry Functions
""

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