Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=NC2=CC=CC3=C2C=C(OS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C3)C(Br)=C1

InChIKey

InChIKey=BMDLKQVHHYQDSC-UHFFFAOYSA-N

Formula

C25H19BrN2O7S

Mass

571.4

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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 homopolycyclic compounds

Substituents

P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Benzenesulfonate ester - Naphthalene - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonyl group - Nitrobenzene - Arylsulfonic acid or derivatives - Nitroaromatic compound - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Organosulfonic acid ester - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Shiff base - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Aldimine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organobromide - Imine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic 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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