Compound Identification
SMILES
OC(=O)[C@H]1[C@H](CN2N=C3CCCCCN3C2=O)CC[C@@H]1SC1=CC=C(C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=XJZZRJAENCZOAK-APTRMMRNSA-N
Formula
C26H28ClN3O3S
Mass
498.04
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
Thiophenol ethers Alkylarylthioethers Azepines Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorinated biphenyl - Aryl thioether - Thiophenol ether - Azepine - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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