Compound Identification
SMILES
CCOC(=O)CC(OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)(C(=O)CC(C)C)C(=O)OC(C)(C)C
InChIKey
InChIKey=LRLIQFKRKKBUPM-UHFFFAOYSA-N
Formula
C21H29NO10S
Mass
487.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Nitrobenzenesulfonates
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Subclass
Benzenesulfonic 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
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Nitrobenzenesulfonates
Alternative Parents
p-Bromobenzenesulfonates Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Gamma-keto acids and derivatives Nitroaromatic compounds Beta-keto acids and derivatives Fatty acid esters Organosulfonic acid esters Dicarboxylic acids and derivatives Sulfonyls Ketones Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-nitrobenzenesulfonate - Benzenesulfonate ester - P-bromobenzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Gamma-keto acid - Beta-keto acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Keto acid - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.
External Descriptors
Not available