Compound Identification
SMILES
COC1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C(C=O)=C(Br)C=C1
InChIKey
InChIKey=HHHMBDDOLFXHFQ-UHFFFAOYSA-N
Formula
C15H13BrO5S
Mass
385.23
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
p-Methylbenzenesulfonates Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Anisoles Benzaldehydes Benzoyl derivatives Methoxybenzenes Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Organosulfonic acid esters Sulfonyls Vinylogous halides Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anisole - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Methoxybenzene - Aryl-aldehyde - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Organosulfonic acid ester - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous halide - Ether - Organic oxygen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic 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