Compound Identification
SMILES
COC1=CC=CC=C1C1=CC(SC2=C(Cl)C(Cl)=C(C3CC3C(=O)NCCCN3CCCC3=O)C(=C2)C2=CC=CC=C2OC)=C(Cl)C(Cl)=C1C1CC1C(=O)NCCCN1CCCC1=O
InChIKey
InChIKey=RUWOGUGSYWGOQZ-UHFFFAOYSA-N
Formula
C48H50Cl4N4O6S
Mass
952.81
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
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Level 5
Chlorinated biphenyls
- Level 6 Polychlorinated biphenyls
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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
Chlorinated biphenyls
Direct Parent
Polychlorinated biphenyls
Alternative Parents
Diarylthioethers Anisoles Thiophenol ethers Dichlorobenzenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers N-alkylpyrrolidines Aryl chlorides Cyclopropanecarboxylic acids and derivatives Pyrrolidine-2-ones Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polychlorinated biphenyl - Diarylthioether - Aryl thioether - Phenoxy compound - Anisole - 1,2-dichlorobenzene - Methoxybenzene - Phenol ether - Thiophenol ether - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen 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