Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=C(C=O)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=XUYDNCAFDYNXBZ-UHFFFAOYSA-N
Formula
C14H11NO6S
Mass
321.3
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
Nitrobenzenes
- Level 5 Nitrobenzaldehydes
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Subclass
Nitrobenzenes
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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
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzaldehydes
Alternative Parents
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzaldehydes Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Organosulfonic acid esters Sulfonyls Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzaldehyde - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Nitroaromatic compound - Benzaldehyde - Benzoyl - Toluene - Aryl-aldehyde - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Aldehyde - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
External Descriptors
Not available