Structure Information
Structure

Compound Identification

SMILES

NC1=CC(NC2=CC(=C(N)C3=C2C(=O)C2=CC=CC=C2C3=O)S([O-])(=O)=O)=CC(=C1)C(O)=O

InChIKey

InChIKey=ADIFFDVVLPNKRZ-UHFFFAOYSA-M

Formula

C21H14N3O7S

Mass

452.42

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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 - Aminobenzoic acid - Aminobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Aryl ketone - Benzoyl - Monocyclic benzene moiety - Primary aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Amino acid or derivatives - Amino acid - Ketone - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organosulfur compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic anion - 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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