Compound Identification
SMILES
OS(O)(=O)=O.OC(CNC1CCCCC1)C1=CC(O)=C(O)C=C1.OC(CNC1CCCCC1)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=CFBGBGPDSIZKRH-UHFFFAOYSA-N
Formula
C28H44N2O10S
Mass
600.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenediols
- Level 5 Catechols
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Subclass
Benzenediols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Catechols
Alternative Parents
Cyclohexylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic sulfuric acids Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Not available
Substituents
Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexylamine - Aralkylamine - Sulfuric acid - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
External Descriptors
Not available