Compound Identification
SMILES
[Na+].NCCCNC1=CC(=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O)S([O-])(=O)=O
InChIKey
InChIKey=VQEIOHLGVDLCSC-UHFFFAOYSA-M
Formula
C17H16N3NaO5S
Mass
397.38
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 Secondary alkylarylamines Vinylogous amides Sulfonyls Organosulfonic acids Organic zwitterions Organic sodium salts Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Secondary aliphatic/aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Ketone - Organic alkali metal salt - Secondary amine - Amine - Organic salt - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic zwitterion - Organic sodium salt - Organic nitrogen compound - Organic oxygen 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