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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Pyrenes
- Subclass Benzopyrenes
-
Class
Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Benzopyrenes
Intermediate Tree Nodes
Not available
Direct Parent
Benzopyrenes
Alternative Parents
Phenanthro-perylenequinones Triphenylenes Chrysenes Phenanthrols Polybrominated biphenyls Anthracenes Naphthols and derivatives O-bromophenols 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous acids Secondary alcohols Polyols Hydrocarbon derivatives Organic oxides Organobromides
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