Compound Identification
SMILES
C\C=C(/C)[C@H]1[C@@H](\C=C\C=C(/C)[C@@H](OC(=O)C2=CC=C(Br)C=C2)[C@@H](C)COC(=O)C(C)(C)C)[C@@H]2C[C@@H]3O[C@]3(C)C[C@H]2[C@@H]2O[C@]12C
InChIKey
InChIKey=YRLQMFJIGSBMPT-CDBUXSLOSA-N
Formula
C37H49BrO6
Mass
669.697
Taxonomic Classification
Taxonomy Tree
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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 Benzoyl derivatives Oxepanes Bromobenzenes Aryl bromides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Oxepane - Aryl halide - Aryl bromide - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Organobromide - Carbonyl group - Organohalogen 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