Compound Identification
SMILES
COC(=O)CC\C(C)=C\CC1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C2=C(COC2=O)C(C)=C1C1CC1
InChIKey
InChIKey=ZSIFZCSTIFUSJD-REZTVBANSA-N
Formula
C27H30O7S
Mass
498.59
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
p-Methylbenzenesulfonates Tosyl compounds Phthalides Benzenesulfonyl compounds Arylsulfonic acids and derivatives Fatty acid methyl esters Organosulfonic acid esters Sulfonyls Methyl esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Phthalide - Isobenzofuranone - Arylsulfonic acid or derivatives - Isocoumaran - Benzenesulfonyl group - Fatty acid methyl ester - Toluene - Fatty acid ester - Fatty acyl - Organosulfonic acid ester - Organosulfonic acid or derivatives - Methyl ester - Organic sulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - 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