Compound Identification
SMILES
CC(C)(C)CC(C)(C)NC1=C(N=C2C=CC=CN12)C1=CC=C(OS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=BBKXKJFRNSQUAL-UHFFFAOYSA-N
Formula
C27H30N4O5S
Mass
522.62
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 Phenylimidazoles Arylsulfonic acids and derivatives Benzenesulfonyl compounds Imidazo[1,2-a]pyridines Imidazopyridines Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Aminoimidazoles Pyridines and derivatives Organosulfonic acid esters N-substituted imidazoles Sulfonyls Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Amines Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-nitrobenzenesulfonate - Benzenesulfonate ester - P-bromobenzenesulfonate - 4-phenylimidazole - 5-phenylimidazole - Arylsulfonic acid or derivatives - Imidazo[1,2-a]pyridine - Benzenesulfonyl group - Imidazopyridine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Aminoimidazole - Organosulfonic acid ester - Pyridine - N-substituted imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Imidazole - Sulfonyl - Azole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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