Compound Identification
SMILES
OC(=O)CC1(CC(=O)C2=CC=C(C=C2)C2=CC=C(Cl)C=C2)CCCC1
InChIKey
InChIKey=DYXNVXVXFNHELP-UHFFFAOYSA-N
Formula
C21H21ClO3
Mass
356.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Chlorinated 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
Chlorinated biphenyls
Alternative Parents
Alkyl-phenylketones Butyrophenones Medium-chain fatty acids Benzoyl derivatives Aryl alkyl ketones Halogenated fatty acids Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Chlorinated biphenyl - Butyrophenone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Medium-chain fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Aryl chloride - Aryl halide - Fatty acyl - Fatty acid - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
External Descriptors
Not available