Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)S(=O)(=O)N1C2=C3C4=C5C6=C7C4=C4C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%20C%20=C%19C%19=C%25C%26=C%20C%20=C%24C%24=C%23C%23=C%27C%22=C%22C%21=C%18C%16=C%13C%22=C%11C%27=C%10C%10=C%23C(C7=C8%10)=C%24C6=C%20C%26=C5C2=C%25C(=C%17%19)C%15=C1C1=C%14C%12=C9C4=C31

InChIKey

InChIKey=SFSMOLREMMRVFU-UHFFFAOYSA-N

Formula

C77H7NO3S

Mass

1025.97

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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 - Tetracene - Triphenylene - Benz-c-acridine - Chrysene - Aporphine - Dibenzazepine - Phenanthridine - Phenanthrene - Acridine - Benzoquinoline - Benzazepine - Isoquinoline - Quinoline - Benzenesulfonamide - Alkaloid or derivatives - Benzenesulfonyl group - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Azepine - Pyridine - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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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