Structure Information
Structure

Compound Identification

SMILES

CCC[C@@H](O)CC1=C(Br)C(O)=C2C(=O)C3=C(O)C(Br)=C(O)C4=C3C3=C5C6=C4C(O)=CC(O)=C6C(=O)C4=C(O)C(Br)=C(C[C@H](C)O)C(C1=C23)=C54

InChIKey

InChIKey=ROTDMWJNCPPKEJ-DTWKUNHWSA-N

Formula

C36H25Br3O10

Mass

857.298

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Pyrenes

Subclass

Benzopyrenes

Intermediate Tree Nodes

Not available

Direct Parent

Benzopyrenes

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Benzo-a-pyrene - Benzo-e-pyrene - Phenanthro-perylenequinone - Perylenequinone - Chrysene - Triphenylene - Phenanthrol - Polybrominated biphenyl - Anthracene - Phenanthrene - 2-naphthol - 1-naphthol - 2-halophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - Aryl bromide - Vinylogous acid - Secondary alcohol - Polyol - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.

External Descriptors

Not available

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