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QuantumChemistry

SkeletalStructure

Calling Sequence

	Calling Sequence
	SkeletalStructure(molecule)

Parameters

molecule	-	string, integer; name of the molecule as a string or CID number as an integer
options	-	(optional) equation(s) of the form option = value where option is one of view

Description

•	SkeletalStructure returns the 2D image (skeletal formula) of a molecule.

•	The molecule can be a name or CID number.

•	The optional keyword view can be set to "worksheet" (default) or "maplet" to display the image in the worksheet or a Maplet.

	References
	Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE. PubChem 2019 update: improved access to chemical data. Nucleic Acids Res. 2019 Jan 8; 47(D1):D1102-1109. doi:10.1093/nar/gky1033.

Examples

>	$with (QuantumChemistry) &colon;$

Consider the molecule aspirin

>	$mol ≔ aspirin &semi;$

$mol ≔ aspirin$

(5.1)

>	$SkeletalStructure (mol) &semi;$

>

See Also

MolecularGeometry
MolecularDictionary

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