Compound Identification
SMILES
CC(C)(C)C1=CC=C(OC(=O)CC2=CC3=C(OS(=O)(=O)C4=CC=C(Br)C=C4)C(CC4=C(OS(=O)(=O)C5=CC=C(Br)C=C5)C(CC5=CC(CC(O)=O)=CC(CC6=CC(=CC(C3)=C6OS(=O)(=O)C3=CC=C(Br)C=C3)C(C)(C)C)=C5OS(=O)(=O)C3=CC=C(Br)C=C3)=CC(=C4)C(C)(C)C)=C2)C=C1
InChIKey
InChIKey=JIXCOJOSODLJSX-UHFFFAOYSA-N
Formula
C74H68Br4O16S4
Mass
1661.2
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
Phenol esters Phenylpropanes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Bromobenzenes Organosulfonic acid esters Aryl bromides Dicarboxylic acids and derivatives Sulfonyls Carboxylic acid esters Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzenesulfonate ester - Phenol ester - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenylpropane - Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid ester - Dicarboxylic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic homopolycyclic 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