Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C2C(=O)C3=C(OC)C=C(C)C4=C3C3=C5C6=C(C(C)=CC(OC)=C6C(=O)C6=C(OC)C=C(OC)C4=C56)C1=C23

InChIKey

InChIKey=CHYNAYIEOBZBDD-UHFFFAOYSA-N

Formula

C36H28O8

Mass

588.612

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Pyrenes

Subclass

Benzopyrenes

Intermediate Tree Nodes

Not available

Direct Parent

Benzopyrenes

Alternative Parents

Phenanthro-perylenequinones Triphenylenes Chrysenes Anthracenes Anisoles Alkyl aryl ethers Vinylogous esters Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Benzo-a-pyrene - Benzo-e-pyrene - Phenanthro-perylenequinone - Perylenequinone - Triphenylene - Chrysene - Anthracene - Phenanthrene - Phenol ether - Anisole - Alkyl aryl ether - Vinylogous ester - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

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