Compound Identification
SMILES
[Na+].CSC1=CN=C(S1)C1=CC=C(OS([O-])(=O)=O)C=C1
InChIKey
InChIKey=XSUZVYFARZVVGU-UHFFFAOYSA-M
Formula
C10H8NNaO4S3
Mass
325.35
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
-
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
Phenoxy compounds Alkylarylthioethers 2,5-disubstituted thiazoles Sulfuric acid monoesters Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylsulfate - Phenoxy compound - Aryl thioether - 2,5-disubstituted 1,3-thiazole - Alkylarylthioether - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Azacycle - Organic alkali metal salt - Thioether - Sulfenyl compound - Organoheterocyclic compound - Organic sodium salt - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic 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