Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCCC[N+](C)(C)C
InChIKey
InChIKey=MJMXPVJVMCFSGK-UHFFFAOYSA-N
Formula
C28H43NO6S
Mass
521.71
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
Benzoic acids and derivatives
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Level 5
Benzoic acid esters
- Level 6 p-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
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Subclass
Benzoic 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
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acid esters - p-Hydroxybenzoic acid esters
Direct Parent
p-Hydroxybenzoic acid alkyl esters
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Phenylpropanes 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoyl derivatives Phenols Tetraalkylammonium salts Sulfonyls Organosulfonic acids Carboxylic acid esters Organooxygen compounds Organic oxides Amines Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
P-hydroxybenzoic acid alkyl ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Phenylpropane - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Toluene - Phenol - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Tetraalkylammonium salt - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
External Descriptors
Not available