Compound Identification
SMILES
FC1(F)[C@H](OS(=O)(=O)C2=CC=C(Br)C=C2)O[C@H](COC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=NLWACOZVIBRSTD-LGVFNWMJSA-N
Formula
C25H19BrF2O8S
Mass
597.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
Benzoic acid esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Bromobenzenes Organosulfonic acid esters Aryl bromides Monosaccharides Sulfonyls Oxolanes Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Benzoate ester - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monosaccharide - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxolane - Sulfonyl - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organofluoride - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available