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Structure Information
Structure

Compound Identification

SMILES

[Ca++].CCCCCCCC\C=C\CCCCCCCCCOC(=O)C1=C(C=C(C=C1)S([O-])(=O)=O)C(=O)OCCCCCCCCC\C=C\CCCCCCCC.CCCCCCCC\C=C\CCCCCCCCCOC(=O)C1=C(C=C(C=C1)S([O-])(=O)=O)C(=O)OCCCCCCCCC\C=C\CCCCCCCC

InChIKey

InChIKey=IIECWNUASSLWBH-SYTWWBQDSA-L

Formula

C92H154CaO14S2

Mass

1588.43

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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

Not available

Substituents

Benzoate ester - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid ester - Carboxylic acid derivative - Organic calcium salt - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic 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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