Structure Information
Structure

Compound Identification

SMILES

CC1(C)S[C@@H]2CC(=O)N2[C@@]1(OS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=LLLALXCZVCYNLD-BXUZGUMPSA-N

Formula

C14H14N2O8S2

Mass

402.39

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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

Benzenesulfonate esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzenesulfonate ester - Alpha-amino acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Penam - Organosulfonic acid ester - Thiazolidine - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Beta-lactam - Azetidine - Carboxamide group - C-nitro compound - Lactam - Organic nitro compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkylthioether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hemithioaminal - Thioether - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.

External Descriptors

Not available

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