Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)O[C@H]1CC[C@@H]2CC(=O)O[C@@H]2C1
InChIKey
InChIKey=PNJYDXCYRYZBHW-KGYLQXTDSA-N
Formula
C15H15BrO4
Mass
339.185
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzofurans Benzoyl derivatives Bromobenzenes Gamma butyrolactones Aryl bromides Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzofuran - Benzoyl - Bromobenzene - Halobenzene - Aryl halide - Gamma butyrolactone - Aryl bromide - Oxolane - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available