Compound Identification
SMILES
OC(=O)CCC1=CC(OS(O)(=O)=O)=CC=C1
InChIKey
InChIKey=IQWLPDPKVFZEOK-UHFFFAOYSA-N
Formula
C9H10O6S
Mass
246.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic sulfuric acids and derivatives
-
Subclass
Arylsulfates
- Level 5 Phenylsulfates
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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
Phenylpropanoic acids Phenoxy compounds Sulfuric acid monoesters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Phenylsulfate - Phenoxy compound - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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:64414 : monocarboxylic acid - aryl sulfate