Structure Information
Structure

Compound Identification

SMILES

CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C5C6=C4C(O)=CC(O)=C6C(=O)C4=C(O)C=C(COCCNC6=C7S\C(N=C7C=CC6=O)=C6\NC(CS6)C(O)=O)C(C1=C23)=C54

InChIKey

InChIKey=JVFJBUPZYCPBMO-DYFOJMMBSA-N

Formula

C43H27N3O12S2

Mass

841.82

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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 - Phenanthro-perylenequinone - Perylenequinone - Chrysene - Triphenylene - Phenanthrol - Anthracene - Phenanthrene - 1-naphthol - 2-naphthol - Alpha-amino acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Azole - Heteroaromatic compound - Thiazole - Thiazolidine - Vinylogous acid - Cyclic ketone - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Secondary aliphatic amine - Ether - Polyol - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organonitrogen 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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