Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)OC[C@H]1OC2OC(=N[C@@H]2[C@@H](OC(=O)C2=CC=C(Br)C=C2)[C@@H]1OC(=O)C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=NTYFALHUPFGGDB-XTXXQTPDSA-N
Formula
C34H23Br4NO8
Mass
893.173
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 Tricarboxylic acids and derivatives Benzoyl derivatives Bromobenzenes Oxanes Aryl bromides Monosaccharides Oxazolines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Acetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives 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 - Halobenzene - Aryl bromide - Aryl halide - Monosaccharide - Oxane - Oxazoline - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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