Compound Identification
SMILES
[H-].[Ca++].CCCCCCCCCCCCCCCC1=CC=CC(C([O-])=O)=C1O
InChIKey
InChIKey=XLBQLQDIUSXFDG-UHFFFAOYSA-M
Formula
C22H36CaO3
Mass
388.605
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
-
Level 6
Salicylic acid and derivatives
- Level 7 Salicylic acids
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Level 6
Salicylic acid and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
Benzoic acids Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Carboxylic acid salts Organic calcium salts Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
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