Compound Identification
SMILES
BrC1=C(C=C(C=C1)C(=O)OCC1COC2=CC=CC=C2O1)S(=O)(=O)N1CCOCC1
InChIKey
InChIKey=BWXIMNLJDPMCGX-UHFFFAOYSA-N
Formula
C20H20BrNO7S
Mass
498.34
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
Benzo-1,4-dioxanes 4-halobenzoic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Bromobenzenes Alkyl aryl ethers Para dioxins Organosulfonamides Aryl bromides Morpholines Sulfonyls Carboxylic acid esters Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonamide - Benzo-1,4-dioxane - Benzodioxane - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Alkyl aryl ether - Bromobenzene - Halobenzene - Organosulfonic acid amide - Para-dioxin - Oxazinane - Aryl bromide - Morpholine - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - 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