Compound Identification
SMILES
CC1=C(C=C(Cl)C(=C1)C1=CC(=CC=C1)S(C)(=O)=O)C1=C(N)C2(CCCN(CC(=O)NCC3=CC=CC=C3F)C2)OC1=O
InChIKey
InChIKey=ZXCFKOVNOGUYQH-UHFFFAOYSA-N
Formula
C31H31ClFN3O5S
Mass
612.11
Taxonomic Classification
Taxonomy Tree
-
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
- Level 5 Chlorinated biphenyls
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Subclass
Biphenyls and derivatives
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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
Alpha amino acid amides Azaspirodecane derivatives Benzenesulfonyl compounds Toluenes Chlorobenzenes Fluorobenzenes Aryl chlorides Piperidines Aryl fluorides Butenolides Vinylogous amides Sulfones Enoate esters Trialkylamines Secondary carboxylic acid amides Lactones Enamines Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organochlorides Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorinated biphenyl - Alpha-amino acid amide - Alpha-amino acid or derivatives - Azaspirodecane - Benzenesulfonyl group - Halobenzene - Fluorobenzene - Toluene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - 2-furanone - Piperidine - Sulfonyl - Sulfone - Dihydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactone - Monocarboxylic acid or derivatives - Oxacycle - Enamine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Primary aliphatic amine - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - 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