Compound Identification
SMILES
CCOC1=CC(=CC(OCC)=C1OCC)C(=O)OC1=C(SC2=CC=C(Cl)C=C2)C(C)=NN1C(C)(C)C
InChIKey
InChIKey=ZFNFSOQYAJMPGF-UHFFFAOYSA-N
Formula
C27H33ClN2O5S
Mass
533.08
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
Diarylthioethers Benzoic acid esters Thiophenol ethers Benzoyl derivatives Phenol ethers Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Pyrazoles Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gallic acid or derivatives - Diarylthioether - Benzoate ester - Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Benzoyl - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl halide - Aryl chloride - Pyrazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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