Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C2=CC=CC=C12

InChIKey

InChIKey=WPJPSIKNQCJUCP-UHFFFAOYSA-N

Formula

C21H14O4S

Mass

362.4

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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 - Chrysene - Phenanthrene - Anthracene - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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