Structure Information
Structure

Compound Identification

SMILES

COC1=C(CN(C)C2=C(Cl)C(F)=NC(F)=N2)C(=C(NC2=CC(=C(N)C3=C2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C=C1)S(O)(=O)=O

InChIKey

InChIKey=JJECGQNZODGWIN-UHFFFAOYSA-N

Formula

C27H20ClF2N5O9S2

Mass

696.05

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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 heteropolycyclic compounds

Substituents

Anthraquinone - 9,10-anthraquinone - Benzenesulfonate - Aminophenyl ether - Benzenesulfonyl group - Methoxyaniline - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Aryl ketone - Phenol ether - Benzylamine - Anisole - 2-halopyrimidine - Halopyrimidine - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic 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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