Compound Identification
SMILES
C[C@H](OC1=CC=C(C=C1)C1=C(Cl)C=C(Cl)C=C1)[C@H](O)CCC1=CN=CC=C1
InChIKey
InChIKey=IICVQAGLMRNSRC-OYHNWAKOSA-N
Formula
C22H21Cl2NO2
Mass
402.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
-
Level 5
Chlorinated biphenyls
- Level 6 Polychlorinated biphenyls
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Level 5
Chlorinated biphenyls
-
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
Chlorinated biphenyls
Direct Parent
Polychlorinated biphenyls
Alternative Parents
Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polychlorinated biphenyl - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Secondary alcohol - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
External Descriptors
Not available