Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].C=O.C1CO1.[O-]C(=O)C1=CC=CC=C1.OC(=O)CC(C([O-])=O)S(O)(=O)=O.CCCCCCCCCC1=CC=C(O)C=C1

InChIKey

InChIKey=VCCOJJWYQYABBJ-UHFFFAOYSA-L

Formula

C29H40Na2O12S

Mass

658.67

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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 acids

Alternative Parents

Molecular Framework

Not available

Substituents

Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Thia fatty acid - Phenol - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid salt - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.

External Descriptors

Not available

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