Compound Identification
SMILES
COC(=O)[C@]12CC(=O)C[C@](Br)(C1)[C@@H]1C[C@H]3COCO[C@@]13C2
InChIKey
InChIKey=MGCMSXNSXQLSNS-GLLLDNPPSA-N
Formula
C15H19BrO5
Mass
359.216
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxanes
- Subclass 1,3-dioxanes
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Class
Dioxanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxanes
Subclass
1,3-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dioxanes
Alternative Parents
Methyl esters Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Meta-dioxane - Methyl ester - Carboxylic acid ester - Ketone - Cyclic ketone - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Organohalogen compound - Organobromide - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
External Descriptors
Not available