Compound Identification
SMILES
C[S+](C)CCOC1=CC=CC=C1OCC(O)CO.[O-][N+](=O)C1=CC(=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=DWBAEIVYRSHXQX-UHFFFAOYSA-M
Formula
C19H23N3O13S2
Mass
565.52
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
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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 Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Sulfonyls Organosulfonic acids Secondary alcohols 1,2-diols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Not available
Substituents
P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Nitrobenzene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenol ether - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Sulfonyl - Organosulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Secondary alcohol - 1,2-diol - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Organic oxide - Organic cation - 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