Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)O[C@H](COCC1=CC=CC=C1)[C@@H]1CCN(CC2=CC=CC=C2)C1
InChIKey
InChIKey=PUSBITGYFLDYAH-ZEQKJWHPSA-N
Formula
C26H28N2O6S
Mass
496.58
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 p-Nitrobenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
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Class
Benzene and substituted derivatives
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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 Benzylethers Nitrobenzenes Benzylamines Phenylmethylamines Nitroaromatic compounds Aralkylamines Organosulfonic acid esters N-alkylpyrrolidines Sulfonyls Trialkylamines Azacyclic compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-nitrobenzenesulfonate - Benzenesulfonate ester - P-bromobenzenesulfonate - Arylsulfonic acid or derivatives - Benzylether - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpyrrolidine - Organosulfonic acid ester - Sulfonyl - Organic sulfonic acid or derivatives - Pyrrolidine - Organosulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Organic salt - Organic oxygen compound - Amine - Organic cation - Aromatic heteromonocyclic 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