Compound Identification
SMILES
CC(C)[C@H](NC(=O)C1=C(Cl)C=C(C=C1)C1=CC=C(NC2=NC3=C(S2)C=C(C=C3)C(C)C)C=C1)C(O)=O
InChIKey
InChIKey=ZVTCJUPTGREOOW-VWLOTQADSA-N
Formula
C28H28ClN3O3S
Mass
522.06
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
Valine and derivatives Hippuric acids N-acyl-alpha amino acids 2-halobenzoic acids and derivatives Benzothiazoles Cumenes Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Secondary amines Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Valine or derivatives - Hippuric acid - Hippuric acid or derivatives - Chlorinated biphenyl - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Cumene - 1,3-benzothiazole - Benzoyl - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organochloride - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - 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