Structure Information
Structure

Compound Identification

SMILES

[Br-].COCC12C[NH+](C)[C@@H]3C4C(OC)[C@H]1C3([C@@H]1C[C@H]3C(OC(=O)C5=CC=CC=C5)[C@]1(O)[C@]4(O)C(O)[C@@H]3OC)C(CC2O)OC

InChIKey

InChIKey=VAPYWLUYCRXGCT-FVBANPRKSA-N

Formula

C31H44BrNO10

Mass

670.594

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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

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Quinolidine - Benzoyl - Azepane - Piperidine - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Polyol - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Organic bromide salt - Organopnictogen compound - Organic oxide - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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