Compound Identification
SMILES
NCCC1=CC(O)=C(OS(O)(=O)=O)C=C1
InChIKey
InChIKey=DEKNNWJXAQTLFA-UHFFFAOYSA-N
Formula
C8H11NO5S
Mass
233.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic sulfuric acids and derivatives
-
Subclass
Arylsulfates
- Level 5 Phenylsulfates
-
Subclass
Arylsulfates
-
Class
Organic sulfuric acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfuric acids and derivatives
Subclass
Arylsulfates
Intermediate Tree Nodes
Not available
Direct Parent
Phenylsulfates
Alternative Parents
Phenethylamines Phenoxy compounds 2-arylethylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylsulfate - Phenethylamine - Phenoxy compound - 2-arylethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Primary amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Primary aliphatic amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group.
External Descriptors
CHEBI:34729 : aryl sulfate