Compound Identification
SMILES
BrC1=C(C=C(C=C1)C(=O)OCC(=O)NC[C@H]1CCCO1)S(=O)(=O)N1CCOCC1
InChIKey
InChIKey=ZFGOGUPUPMLQDQ-CQSZACIVSA-N
Formula
C18H23BrN2O7S
Mass
491.35
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 Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Bromobenzenes Aryl bromides Organosulfonamides Morpholines Sulfonyls Oxolanes Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzenesulfonamide - Benzenesulfonyl group - Benzoyl - Bromobenzene - Halobenzene - Morpholine - Organosulfonic acid amide - Oxazinane - Aryl halide - Aryl bromide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxolane - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic 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