Compound Identification
SMILES
COC1=C(OS([O-])(=O)=O)C=C(C=C1)C1CC2=C(C(O)=CC=C2)C(=O)O1
InChIKey
InChIKey=YEYKWJZJEDQBQH-UHFFFAOYSA-M
Formula
C16H13O8S
Mass
365.33
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic sulfuric acids and derivatives
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Subclass
Arylsulfates
- Level 5 Phenylsulfates
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Subclass
Arylsulfates
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Class
Organic sulfuric acids and derivatives
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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
2-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Vinylogous acids Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylsulfate - Benzopyran - Isochromane - 2-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Vinylogous acid - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic anion - Aromatic heteropolycyclic 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
Not available