Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(CN2[C@H](OC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H](OC3=CC=CC=C3)N(CC3=CC=C(CO)C=C3)S2(=O)=O)C=C1

InChIKey

InChIKey=LOBUNSYETBFDCX-SEVDZJIVSA-N

Formula

C33H34N2O9S

Mass

634.7

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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 heteromonocyclic compounds

Substituents

Benzoate ester - Phenoxy compound - Benzoyl - Benzyl alcohol - Phenol ether - Sulfuric acid diamide - Organic sulfuric acid or derivatives - Methyl ester - Carboxylic acid ester - Secondary alcohol - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic alcohol - Aromatic heteromonocyclic 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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