Compound Identification
SMILES
OC(=O)C1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C5C6=C4C(O)=CC(O)=C6C(=O)C4=C(O)C=C(C(O)=O)C(C1=C23)=C54
InChIKey
InChIKey=WYKGKJJOBNISQK-UHFFFAOYSA-N
Formula
C30H12O12
Mass
564.414
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 Anthracenecarboxylic acids Phenanthrols Naphthalenecarboxylic acids Naphthols and derivatives Hydroxybenzoic acid derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzo-e-pyrene - Phenanthro-perylenequinone - Benzo-a-pyrene - Perylenequinone - Chrysene - Triphenylene - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - Phenanthrol - Anthracene - Phenanthrene - 2-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid - 1-naphthol - 2-naphthol - Hydroxybenzoic acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Polyol - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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