Compound Identification
SMILES
OC(=O)C1=CC=CC=C1OS(O)(=O)=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=BHPUDLITDAYXQK-UHFFFAOYSA-N
Formula
C25H21Cl3N2O7S
Mass
599.86
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
Benzoic acids Benzylethers Phenoxy compounds Benzoyl derivatives Dichlorobenzenes Sulfuric acid monoesters Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Not available
Substituents
Phenylsulfate - Benzoic acid or derivatives - Benzoic acid - Benzylether - Phenoxy compound - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - 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