Compound Identification
SMILES
ClCCC[NH+]1CC1.[O-][N+](=O)C1=CC(=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=CODNXQDQAPZBMO-UHFFFAOYSA-N
Formula
C11H13ClN4O9S
Mass
412.75
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 Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Sulfonyls Organosulfonic acids Trialkylamines Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Aziridines Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Organochlorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Aziridine - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organosulfur compound - Organonitrogen compound - Organochloride - Alkyl halide - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic salt - Organic nitrogen compound - Alkyl chloride - Organic oxygen compound - 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