Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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