Compound Identification
SMILES
FC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC(CN(CC2=CC=CO2)C(=O)C2=C(Cl)C=C(Cl)C=C2)=C1
InChIKey
InChIKey=ATYDUQDNODEPAN-UHFFFAOYSA-N
Formula
C25H18Cl2FNO5S
Mass
534.38
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
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic 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
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Arylsulfonic acids and derivatives Benzamides Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Dichlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Organosulfonic acid esters Heteroaromatic compounds Furans Vinylogous halides Sulfonyls Tertiary carboxylic acid amides Oxacyclic compounds Organofluorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1,3-dichlorobenzene - Benzoyl - Phenoxy compound - Fluorobenzene - Chlorobenzene - Halobenzene - Organosulfonic acid ester - Aryl halide - Aryl chloride - Aryl fluoride - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organochloride - Organohalogen 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