Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H]1O[C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)[C@H]1OCC1=CC=CC=C1

InChIKey

InChIKey=VMBARBKJKLGEBF-ZAFOZMFBSA-N

Formula

C46H43NO14

Mass

833.843

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzoate - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzylether - Nitrobenzene - Tricarboxylic acid or derivatives - Nitroaromatic compound - Benzoyl - Monosaccharide - Oxolane - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic salt - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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