Compound Identification
SMILES
[Na+].CC1=C(CNC(=O)C2=CC=CC=C2)C(C)=C(NC2=CC(=C(N)C3=C2C(=O)C2=CC=CC=C2C3=O)S([O-])(=O)=O)C(C)=C1CNC(=O)C1=CC=CC=C1
InChIKey
InChIKey=QCTYVVWNINGBCP-UHFFFAOYSA-M
Formula
C39H33N4NaO7S
Mass
724.76
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
N-benzylbenzamides 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Aryl ketones Benzoyl derivatives Primary aromatic amines Vinylogous amides Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Organic oxides Organic sodium salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,10-anthraquinone - Anthraquinone - N-benzylbenzamide - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Aniline or substituted anilines - Aryl ketone - Monocyclic benzene moiety - Primary aromatic amine - Vinylogous amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ketone - Secondary amine - Organic alkali metal salt - Carboxylic acid derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Primary amine - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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