Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(\C=C1/O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC)C(OS(C)(=O)=O)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=LXIQWSCFEXLHAH-DEHZCZMCSA-N

Formula

C21H27NO11S

Mass

501.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Ketal - Monosaccharide - Sulfonic acid ester - Organosulfonic acid ester - Fatty acyl - Meta-dioxolane - Methanesulfonate - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Acetal - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organoheterocyclic compound - Oxacycle - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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