Compound Identification
SMILES
CCOC(=O)C1(C(=O)OCC)C23C4=C5C6=C7C8=C9C6=C6C%10=C%11C%12=C6C5=C2C2=C%12C5=C6C%12=C%13C%14=C%15C%16=C%13C%13=C6C2=C2C%13=C6C%16=C%13C%16=C%17C%18=C%19C%20=C%21C(=C8C%20=C8C9=C%10C9=C8C%19=C8C(=C%14C%10=C8C9=C%11C5=C%12%10)C%18=C%15%16)C5=C8C(C4=C75)=C(C6=C%13C8=C%17%21)C132
InChIKey
InChIKey=PGRMQBCOOSNGSX-UHFFFAOYSA-N
Formula
C77H10O4
Mass
998.923
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
Triphenylenes Naphthacenes Chrysenes Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzo-a-pyrene - Benzo-e-pyrene - Chrysene - Triphenylene - Tetracene - Phenanthrene - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen 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