Compound Identification
SMILES
COC(=O)C1=C(C(=O)OC)C2(C3=C(C=CC(Br)=C3)C3=C2C=C(Br)C=C3)C2(\C=C\C3=CC=C(Cl)C=C3)N1CCC1=CC(OC)=C(OC)C=C21
InChIKey
InChIKey=VNLNRFRGWJMFHY-FYWRMAATSA-N
Formula
C38H30Br2ClNO6
Mass
791.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
-
Level 5
Brominated biphenyls
- Level 6 Polybrominated biphenyls
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Level 5
Brominated 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
Brominated biphenyls
Direct Parent
Polybrominated biphenyls
Alternative Parents
Fluorenes Alpha amino acids and derivatives Tetrahydroisoquinolines Styrenes Pyrroline carboxylic acids Anisoles Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl bromides Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Trialkylamines Azacyclic compounds Enamines Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Polybrominated biphenyl - Fluorene - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Phenol ether - Anisole - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Styrene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Aryl chloride - Dicarboxylic acid or derivatives - Aryl bromide - Aryl halide - Vinylogous amide - Pyrroline - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Ether - Organonitrogen compound - Amine - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organobromide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.
External Descriptors
Not available