Compound Identification
SMILES
C\C(=N\NC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(Br)S1
InChIKey
InChIKey=VKDMBXWEPZWDKB-UUASQNMZSA-N
Formula
C13H11BrN2O4S
Mass
371.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenetriols and derivatives
- Level 5 Pyrogallols and derivatives
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Subclass
Benzenetriols and derivatives
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenetriols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrogallols and derivatives
Alternative Parents
Benzoic acids and derivatives Benzoyl derivatives 2,5-disubstituted thiophenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Heteroaromatic compounds Polyols Carboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrogallols and derivatives. These are compounds containing a 1,2,3-trihydroxybenzene moiety.
External Descriptors
Not available