Compound Identification
SMILES
CC1C2C(OC1=O)C1C(C)=CC(=O)C1=C(C)CC2OC(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=NLMRMQSEMQXYRV-UHFFFAOYSA-N
Formula
C22H21BrO5
Mass
445.309
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
2-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Gamma butyrolactones Dicarboxylic acids and derivatives Aryl bromides Vinylogous halides Oxolanes Ketones Carboxylic acid esters Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Gamma butyrolactone - Dicarboxylic acid or derivatives - Oxolane - Vinylogous halide - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Aldehyde - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen 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