Structure Information
Structure

Compound Identification

SMILES

OC1=CC(O)=C2C(O)=C3C(=O)CC4OCC5=CC(O)=C6C(=O)C7=C(O)C=C(O)C8=C7C7=C(C3=C4C5=C67)C2=C18

InChIKey

InChIKey=HWXUSKFPJWBUEV-UHFFFAOYSA-N

Formula

C29H14O9

Mass

506.422

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-a-pyrene - Benzo-e-pyrene - Chrysene - Triphenylene - Phenanthrol - Anthracene - Naphthopyran - Phenanthrene - Phenalane - 2-naphthol - 1-naphthol - Benzopyran - 2-benzopyran - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyran - Vinylogous acid - Ketone - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

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