Compound Identification
SMILES
CC(C)(C)C1=NN(C(OS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)=C1)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=DYKABMGPICVILT-UHFFFAOYSA-N
Formula
C19H17Cl2N3O5S
Mass
470.32
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 Phenylpyrazoles Benzenesulfonate esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Dichlorobenzenes Nitroaromatic compounds Organosulfonic acid esters Aryl chlorides Sulfonyls Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Phenylpyrazole - Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Organosulfonic acid ester - Aryl chloride - Sulfonyl - Azole - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organosulfur compound - Organic oxygen compound - Organochloride - Organohalogen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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