Structure Information
Structure

Compound Identification

SMILES

[Cl-].CC[NH+]1CC2(COC)[C@H]3C(OC)C4[C@@H]1C3([C@@H]1CC3(O)C(OC(=O)C5=CC=CC=C5)C1[C@]4(OC(C)=O)C(O)C3OC)C(CC2O)OC

InChIKey

InChIKey=GTRQCTQDPIUIMX-HUZDBUHLSA-N

Formula

C34H48ClNO11

Mass

682.2

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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 - Dicarboxylic acid or derivatives - Piperidine - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Polyol - Organic chloride salt - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - 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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