Compound Identification
SMILES
COC(=O)C1=C(C=C(C=C1SC)C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=DAVHBUVFLWVEOX-UHFFFAOYSA-N
Formula
C21H16Br2O2S
Mass
492.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Terphenyls
- Level 5 M-terphenyls
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Subclass
Terphenyls
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Terphenyls
Intermediate Tree Nodes
Not available
Direct Parent
M-terphenyls
Alternative Parents
Brominated biphenyls O-sulfanylbenzoic acids and derivatives Benzoic acid esters Thiophenol ethers Benzoyl derivatives Bromobenzenes Alkylarylthioethers Vinylogous thioesters Aryl bromides Methyl esters Sulfenyl compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta-terphenyl - Brominated biphenyl - Biphenyl - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous thioester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organobromide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton.
External Descriptors
Not available