Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC2=CC(=C(N)C3=C2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C=C(C=C1N)S(O)(=O)=O

InChIKey

InChIKey=QESOMBMPKAMMLJ-UHFFFAOYSA-N

Formula

C21H17N3O8S2

Mass

503.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Anthracenes

Subclass

Anthraquinones

Intermediate Tree Nodes

Not available

Direct Parent

Anthraquinones

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

9,10-anthraquinone - Anthraquinone - P-methylbenzenesulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Diaminotoluene - 1-sulfo,2-unsubstituted aromatic compound - Aminotoluene - Aniline or substituted anilines - Aryl ketone - Toluene - Monocyclic benzene moiety - Primary aromatic amine - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Secondary amine - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.

External Descriptors

Not available

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