Compound Identification
SMILES
CCCCCCCCCCOC(=O)CCC\C=C/[C@@H]1[C@H]2CC[C@H](C2)[C@H]1CNS(=O)(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=KLMMNRLRCVRTDN-IVMBPFMGSA-N
Formula
C30H46BrNO4S
Mass
596.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty acid esters
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Level 5
Wax esters
- Level 6 Wax monoesters
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Level 5
Wax esters
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Subclass
Fatty acid esters
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Wax esters
Direct Parent
Wax monoesters
Alternative Parents
Bicyclic monoterpenoids Benzenesulfonamides Aromatic monoterpenoids Benzenesulfonyl compounds Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Wax monoester skeleton - Aromatic monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Benzenesulfonamide - Norbornane monoterpenoid - Benzenesulfonyl group - Halobenzene - Bromobenzene - Organosulfonic acid amide - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position.
External Descriptors
Not available