Compound Identification
SMILES
[Ca++].CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC=C1C(=O)O[O-].CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC=C1C(=O)O[O-]
InChIKey
InChIKey=ZMDJAKWXADSFIS-UHFFFAOYSA-L
Formula
C50H78CaO10
Mass
879.242
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
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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
Acylsalicylic acids and derivatives
Alternative Parents
Phenol esters Peroxybenzoic acids and derivatives Phenoxy compounds Benzoyl derivatives Fatty acid esters Peroxycarboxylic acids Carboxylic acid esters Organic peroxides Organic calcium salts Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Acylsalicylic acid or derivatives - Peroxybenzoate - Phenol ester - Phenoxy compound - Benzoyl - Fatty acid ester - Fatty acyl - Peroxycarboxylic acid - Peroxycarboxylic acid or derivatives - Carboxylic acid ester - Organic peroxide - Monocarboxylic acid or derivatives - Organic calcium salt - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylsalicylic acids and derivatives. These are salicylic acids or derivatives, that are O-acylated.
External Descriptors
Not available