Compound Identification
SMILES
CC(C)=CCCC1=C2C(CC3(COC(=O)C4=CC=C(Br)C=C4)OC3C2OC(=O)C2=CC=C(Br)C=C2)OC1=O
InChIKey
InChIKey=ATMXONCUGMIYJL-UHFFFAOYSA-N
Formula
C29H26Br2O7
Mass
646.328
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
4-halobenzoic acids and derivatives Tricarboxylic acids and derivatives Benzoyl derivatives Oxepanes Bromobenzenes Aryl bromides Butenolides Enoate esters Lactones Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives Organobromides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Bromobenzene - Oxepane - Halobenzene - Aryl bromide - Aryl halide - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Carboxylic acid ester - Lactone - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organobromide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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