Compound Identification
SMILES
CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C5C6=C4C(O)=CC(O)=C6C(=O)C4=C(O)C=C(COCCCC6=C7S\C(N=C7C=CC6=O)=C6\NC(CS6)C(O)=O)C(C1=C23)=C54
InChIKey
InChIKey=VOCMGWHDIGKDLM-RPYQSRGHSA-N
Formula
C44H28N2O12S2
Mass
840.83
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 Anthracenes Naphthols and derivatives Alpha amino acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Thiazolidines Thiazoles Heteroaromatic compounds Cyclic ketones Polyols Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-a-pyrene - Benzo-e-pyrene - Phenanthro-perylenequinone - Perylenequinone - Chrysene - Triphenylene - Phenanthrol - Anthracene - Phenanthrene - 1-naphthol - 2-naphthol - Alpha-amino acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Heteroaromatic compound - Azole - Thiazole - Thiazolidine - Vinylogous acid - Cyclic ketone - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Polyol - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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