Compound Identification
SMILES
CCC[C@H](CC1=C(Br)C(O)=C2C(=O)C3=C(O)C(Br)=C(O)C4=C3C3=C5C6=C4C(O)=C(Br)C(O)=C6C(=O)C4=C(O)C(Br)=C(C[C@H](C)OS(O)(=O)=O)C(C1=C23)=C54)OS(O)(=O)=O
InChIKey
InChIKey=FOSPWIPVVWEZDP-JGVFFNPUSA-N
Formula
C36H24Br4O16S2
Mass
1096.31
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 Sulfuric acid monoesters Alkyl sulfates Aryl bromides Vinylogous acids 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 - Phenol - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Aryl halide - Aryl bromide - Sulfuric acid ester - Organic sulfuric acid or derivatives - Vinylogous acid - Polyol - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - 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