Compound Identification
SMILES
CC(C)(C)OC(=O)N1[C@@H](C[C@]2(O)[C@H]1N(C(=O)OC(C)(C)C)C1=C2C=C(C(Cl)=C1)C1=CC2=C(C=C1Cl)N([C@H]1N([C@@H](C[C@@]21O)C(O)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(O)=O
InChIKey
InChIKey=RERKRCSVRLYHOY-NTKIHUKDSA-N
Formula
C42H52Cl2N4O14
Mass
907.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
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
Pyrroloindoles Indolecarboxylic acids Alpha amino acids and derivatives Indoles Pyrrolidine carboxylic acids Aryl chlorides Dicarboxylic acids and derivatives Tertiary alcohols Pyrroles Carbamate esters Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Polychlorinated biphenyl - Indolecarboxylic acid - Indolecarboxylic acid derivative - Pyrroloindole - Alpha-amino acid or derivatives - Indole - Indole or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Carbamic acid ester - Tertiary alcohol - Pyrrolidine - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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