Compound Identification
SMILES
CC(C)OP(=O)(OC(C)C)C(OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=OJDKQKTTZJEWFZ-UHFFFAOYSA-N
Formula
C19H24NO8PS
Mass
457.43
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 Nitroaromatic compounds Dialkyl alkylphosphonates Phosphonic acid esters Organosulfonic acid esters Sulfonyls Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Benzenesulfonate ester - Nitrobenzene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Nitroaromatic compound - Dialkyl alkylphosphonate - Phosphonic acid diester - Organosulfonic acid ester - Phosphonic acid ester - Organosulfonic acid or derivatives - Organophosphonic acid derivative - Sulfonyl - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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