Compound Identification
SMILES
BrC1=CC=C(C=C1)S(=O)(=O)OCC1C2C3CC1CC23
InChIKey
InChIKey=MXLDIPWRPOQZER-UHFFFAOYSA-N
Formula
C14H15BrO3S
Mass
343.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
Aromatic monoterpenoids Benzenesulfonyl compounds Arylsulfonic acids and derivatives Bromobenzenes Organosulfonic acid esters Aryl bromides Sulfonyls Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzenesulfonate ester - Aromatic monoterpenoid - Monoterpenoid - Norbornane monoterpenoid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfur compound - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available