Compound Identification
SMILES
CC1=CC(COC2=CC=CC=C2C2=NC3=CC=CC=C3S2)=C(O)C(=C1)C(O)=O
InChIKey
InChIKey=SRKMGKMXKKBRIT-UHFFFAOYSA-N
Formula
C22H17NO4S
Mass
391.44
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 Benzothiazoles Benzoyl derivatives Para cresols Phenol ethers Phenoxy compounds Alkyl aryl ethers Toluenes Heteroaromatic compounds Vinylogous acids Thiazoles Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Salicylic acid - Benzoic acid - 1,3-benzothiazole - Phenoxy compound - Benzoyl - P-cresol - Phenol ether - Alkyl aryl ether - Toluene - Phenol - Azole - Heteroaromatic compound - Vinylogous acid - Thiazole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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