Compound Identification
SMILES
C[C@@H]1[C@H](OC(C)=O)OC(=O)[C@]1(Br)C(C)=O
InChIKey
InChIKey=PNHRYXCOTVCMMA-BTDYQHFOSA-N
Formula
C9H11BrO5
Mass
279.086
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Carboxylic acid derivatives
-
Level 5
Carboxylic acid esters
- Level 6 Acylals
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Level 5
Carboxylic acid esters
-
Subclass
Carboxylic acid derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid esters
Direct Parent
Acylals
Alternative Parents
Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Alpha-haloketones Oxacyclic compounds Acetals Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Acylal - Dicarboxylic acid or derivatives - Gamma butyrolactone - Alpha-haloketone - Tetrahydrofuran - Ketone - Lactone - Acetal - Oxacycle - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Organobromide - Organooxygen compound - Alkyl bromide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylals. These are diesters of geminal diols.
External Descriptors
Not available