Structure Information
Structure

Compound Identification

SMILES

[H-].[Ca++].CCCCCCCCCCCCCCCC1=CC=CC(C([O-])=O)=C1O

InChIKey

InChIKey=XLBQLQDIUSXFDG-UHFFFAOYSA-M

Formula

C22H36CaO3

Mass

388.605

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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

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Salicylic acid - Benzoic acid - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid salt - Carboxylic acid - Carboxylic acid derivative - Organic calcium salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

External Descriptors

Not available

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