Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N1C2=C3C4=C5C6=C7C4=C4C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%20C%20=C%19C%19=C%25C%26=C%20C%20=C%24C%24=C%23C%23=C%27C%22=C%22C%21=C%18C%16=C%13C%22=C%11C%27=C%10C%10=C%23C(C7=C8%10)=C%24C6=C%20C%26=C5C2=C%25C(=C%17%19)C%15=C1C1=C%14C%12=C9C4=C31
InChIKey
InChIKey=SFSMOLREMMRVFU-UHFFFAOYSA-N
Formula
C77H7NO3S
Mass
1025.97
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 Benzacridines Chrysenes Aporphines Naphthacenes Dibenzazepines Phenanthridines and derivatives Isoquinolines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Anisoles Methoxybenzenes Phenoxy compounds Azepines Alkyl aryl ethers Pyridines and derivatives Organosulfonic acids and derivatives Heteroaromatic compounds Sulfonyls Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-a-pyrene - Benzo-e-pyrene - Tetracene - Triphenylene - Benz-c-acridine - Chrysene - Aporphine - Dibenzazepine - Phenanthridine - Phenanthrene - Acridine - Benzoquinoline - Benzazepine - Isoquinoline - Quinoline - Benzenesulfonamide - Alkaloid or derivatives - Benzenesulfonyl group - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Azepine - Pyridine - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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