Structure Information
Structure

Compound Identification

SMILES

CC1=CC(CC2OC3=C(Br)C=C(F)C=C3C=C2)=C(C=C1)S(O)(=O)=O

InChIKey

InChIKey=GTPAEDVQXQPUPP-UHFFFAOYSA-N

Formula

C17H14BrFO4S

Mass

413.26

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

p-Methylbenzenesulfonates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

P-methylbenzenesulfonate - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Alkyl aryl ether - Toluene - Aryl bromide - Aryl fluoride - Aryl halide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.

External Descriptors

Not available

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