Compound Identification
SMILES
COC1=CC(=CC(OC2=C(F)C(C)=C(F)C(OC3=CC=CC(=C3)C#N)=N2)=C1OC)C(O)=O
InChIKey
InChIKey=OSXGCBUKYNKOHE-UHFFFAOYSA-N
Formula
C22H16F2N2O6
Mass
442.375
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Hydroxybenzoic acid derivatives
- Level 6 Gallic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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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
Direct Parent
Gallic acid and derivatives
Alternative Parents
P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Diarylethers Dimethoxybenzenes Benzoic acids Polyhalopyridines Phenoxy compounds Anisoles Benzonitriles Benzoyl derivatives Alkyl aryl ethers Methylpyridines Aryl fluorides Heteroaromatic compounds Azacyclic compounds Nitriles Carboxylic acids Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - Diaryl ether - P-methoxybenzoic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Benzoic acid - Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Polyhalopyridine - Benzoyl - Phenol ether - Alkyl aryl ether - Methylpyridine - Aryl fluoride - Pyridine - Aryl halide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
External Descriptors
Not available