Compound Identification
SMILES
COC(=O)CCC(C)=CCC1OC(=O)C2=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C(C=C)C(C)=C12
InChIKey
InChIKey=ZZXDTOYLCZAAGU-UHFFFAOYSA-N
Formula
C26H28O7S
Mass
484.56
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 Phthalides Benzofuranones Arylsulfonic acids and derivatives Benzenesulfonyl compounds Styrenes Fatty acid methyl esters Organosulfonic acid esters Methyl esters Sulfonyls Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Benzofuranone - Isobenzofuranone - Phthalide - Tosyl compound - Arylsulfonic acid or derivatives - Isocoumaran - Benzenesulfonyl group - Styrene - Fatty acid ester - Toluene - Fatty acid methyl ester - Fatty acyl - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Methyl ester - Organic sulfonic acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - 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