Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=CC(OS(=O)(=O)C2=CC=C(C)C=C2)=C2C3C[C@H](OC(=O)C4=CC=CC=C4)C(=O)NC3OC2=C1
InChIKey
InChIKey=JQQSDWGIUYKMJS-GPQFNORQSA-N
Formula
C32H27NO10S2
Mass
649.69
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
-
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
p-Methylbenzenesulfonates Tosyl compounds Benzoic acid esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Coumarans Benzoyl derivatives Piperidinones Delta lactams Organosulfonic acid esters Sulfonyls Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Benzoate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Coumaran - Benzoyl - Toluene - Delta-lactam - Piperidinone - Piperidine - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic 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