Compound Identification
SMILES
[Na+].NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(Br)C=C1S([O-])(=O)=O
InChIKey
InChIKey=TXMRAEGWZZVGIH-UHFFFAOYSA-M
Formula
C14H7BrNNaO5S
Mass
404.17
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Anthracenes
- Subclass Anthraquinones
-
Class
Anthracenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Anthraquinones
Intermediate Tree Nodes
Not available
Direct Parent
Anthraquinones
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Aryl bromides Vinylogous halides Vinylogous amides Sulfonyls Organosulfonic acids Organic metal halides Primary amines Organopnictogen compounds Organobromides Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Aryl bromide - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous halide - Vinylogous amide - Ketone - Organic metal halide - Organic alkali metal salt - Organic sodium salt - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organopnictogen compound - 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