Compound Identification
SMILES
COC(=O)COC1=C(Br)C=C(C=C1Br)C1=C2C(SC3=CC=CC=C23)=CC=C1
InChIKey
InChIKey=XXZAYMRRKCJDQE-UHFFFAOYSA-N
Formula
C21H14Br2O3S
Mass
506.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiophenes
- Subclass Dibenzothiophenes
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Class
Benzothiophenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiophenes
Subclass
Dibenzothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiophenes
Alternative Parents
Phenoxyacetic acid derivatives 1-benzothiophenes Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Thiophenes Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiophene - Phenoxyacetate - 1-benzothiophene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzothiophenes. These are organic heterocyclic compounds with a structure containing a dibenzothiophene moiety, made up of two benzene rings fused to a central thiophene ring.
External Descriptors
Not available