Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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