Compound Identification
SMILES
OC(=O)C(CC1=CC=C(F)C=C1)OC1=C(Br)C=C(C=C1Br)C1=C2C(SC3=CC=CC=C23)=C(Br)C2=CC=CC=C12
InChIKey
InChIKey=KKXKLBWKAATPPH-UHFFFAOYSA-N
Formula
C31H18Br3FO3S
Mass
729.25
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
-
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
Naphthothiophenes Dibenzothiophenes Phenylpropanoic acids Phenoxyacetic acid derivatives 1-benzothiophenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Thiophenes Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Polybrominated biphenyl - Naphthothiophene - Dibenzothiophene - Phenoxyacetate - 3-phenylpropanoic-acid - Naphthalene - 1-benzothiophene - Benzothiophene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Bromobenzene - Aryl fluoride - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organobromide - Organofluoride - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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