Structure Information
Structure

Compound Identification

SMILES

CC1=C2C=C3C=CC=[N+]3[B-](F)(F)N2C(\C=C\C2=CC=C(OS(=O)(=O)C3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)C=C2)=C1

InChIKey

InChIKey=IDYXYZOGWLRYDE-QPJJXVBHSA-N

Formula

C24H17BF2N4O7S

Mass

554.29

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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

Aromatic heteropolycyclic compounds

Substituents

P-nitrobenzenesulfonate - Benzenesulfonate ester - P-bromobenzenesulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - Phenoxy compound - Nitroaromatic compound - Styrene - Organosulfonic acid ester - Substituted pyrrole - Pyrrole - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic 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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