Compound Identification
SMILES
CCCC1=C(C(=O)OC)C(C(=O)OC)=C(CCC)C2=CC3=C(OC)C4=C(C=C5C(CCC)=C(C(=O)OC)C(C(=O)OC)=C(CCC)C5=C4)C(OC)=C3C=C12
InChIKey
InChIKey=ISHFVXURTNBYLL-UHFFFAOYSA-N
Formula
C44H50O10
Mass
738.874
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Pentacenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pentacenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pentacenes
Alternative Parents
Anthracenecarboxylic acids Naphthalenecarboxylic acids Anisoles Alkyl aryl ethers Methyl esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pentacene - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentacenes. These are compounds containing a pentacene moiety, which is consists of five linearly fused benzene rings.
External Descriptors
Not available