Compound Identification
SMILES
CCOC1=CC(C(O)=O)=C(O)C=C1.CCCCCCC1=C2C=CC(=C1)S2(=O)=O
InChIKey
InChIKey=ZKEVGQCMQNFNOJ-UHFFFAOYSA-N
Formula
C21H26O6S
Mass
406.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
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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 4-alkoxyphenols Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Thiophene sulfoxides Vinylogous acids Sulfones Dihydrothiophenes Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Salicylic acid - 4-alkoxyphenol - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Thiophene sulfoxide - 2,5-dihydrothiophene - Vinylogous acid - Sulfone - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic 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