Compound Identification
SMILES
[Na+].CC#CCOC1=C(C=C(Br)C=C1)C1=CC=CC=C1C1=NC(=CC=C1)C([O-])=O
InChIKey
InChIKey=WLIDLMYYMOLLHI-UHFFFAOYSA-M
Formula
C22H15BrNNaO3
Mass
444.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Brominated biphenyls
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Subclass
Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Brominated biphenyls
Alternative Parents
Phenylpyridines Pyridinecarboxylic acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Organic metal halides Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Brominated biphenyl - 2-phenylpyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Organic alkali metal salt - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic sodium salt - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom.
External Descriptors
Not available