Compound Identification
SMILES
CC1=CC=CC(C)=N1.OS(=O)(=O)OC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=QNIFZTABOYDWNV-UHFFFAOYSA-N
Formula
C17H22Cl2N2O4S
Mass
421.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Nitrogen mustard compounds Dialkylarylamines Aniline and substituted anilines Sulfuric acid monoesters Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Not available
Substituents
Phenylsulfate - Nitrogen mustard - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Tertiary amine - Organopnictogen compound - Amine - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Organic oxide - Hydrocarbon derivative - 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