Compound Identification
SMILES
[Na+].[Na+].[Na+].[68Ga+3].OC1=C2C(=O)C3=CC=CC=C3C(=O)C2=CC(=C1[O-])S([O-])(=O)=O.OC1=C2C(=O)C3=CC=CC=C3C(=O)C2=CC(=C1[O-])S([O-])(=O)=O.OC1=C2C(=O)C3=CC=CC=C3C(=O)C2=CC(=C1[O-])S([O-])(=O)=O
InChIKey
InChIKey=AKCUIKLSLXNBER-QDLNGRDXSA-H
Formula
C42H18GaNa3O21S3
Mass
1091.66
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 Phenoxides 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Phenoxide - Vinylogous acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Organic salt - Organosulfur compound - Organooxygen compound - Organic sodium salt - Hydrocarbon derivative - Organic cation - 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