Compound Identification
SMILES
CC1=CC=C(OS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ISROHQMFALHBEW-UHFFFAOYSA-N
Formula
C13H11NO5S
Mass
293.29
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 Phenoxy compounds Toluenes Organosulfonic acid esters Sulfonyls Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Benzenesulfonate ester - Nitrobenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Nitroaromatic compound - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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