Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1(C(=O)OCC)C23C4=C5C6=C7C8=C9C6=C6C%10=C%11C%12=C6C5=C2C2=C%12C5=C6C%12=C%13C%14=C%15C%16=C%13C%13=C6C2=C2C%13=C6C%16=C%13C%16=C%17C%18=C%19C%20=C%21C(=C8C%20=C8C9=C%10C9=C8C%19=C8C(=C%14C%10=C8C9=C%11C5=C%12%10)C%18=C%15%16)C5=C8C(C4=C75)=C(C6=C%13C8=C%17%21)C132

InChIKey

InChIKey=PGRMQBCOOSNGSX-UHFFFAOYSA-N

Formula

C77H10O4

Mass

998.923

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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 homopolycyclic compounds

Substituents

Benzo-a-pyrene - Benzo-e-pyrene - Chrysene - Triphenylene - Tetracene - Phenanthrene - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen 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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