Compound Identification
SMILES
CC(=O)OC(CCS(=O)(=O)C1=CC=CC=C1)OC1=CC(C(O)=O)=C(O)C=C1
InChIKey
InChIKey=AFCGQTUJNMYRNS-UHFFFAOYSA-N
Formula
C18H18O8S
Mass
394.39
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
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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
Salicylic acids
Alternative Parents
Benzoic acids Benzenesulfonyl compounds 4-alkoxyphenols Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Sulfones Carboxylic acid esters Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Salicylic acid - 4-alkoxyphenol - Benzenesulfonyl group - Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Vinylogous acid - Sulfonyl - Sulfone - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - 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