Compound Identification
SMILES
NC1=CC(NC2=CC(=C(N)C3=C2C(=O)C2=CC=CC=C2C3=O)S([O-])(=O)=O)=CC(=C1)C(O)=O
InChIKey
InChIKey=ADIFFDVVLPNKRZ-UHFFFAOYSA-M
Formula
C21H14N3O7S
Mass
452.42
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
Aminobenzoic acids 1-sulfo,2-unsubstituted aromatic compounds Benzoic acids Aniline and substituted anilines Aryl ketones Benzoyl derivatives Primary aromatic amines Organosulfonic acids Vinylogous amides Sulfonyls Amino acids Carboxylic acids Secondary amines Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,10-anthraquinone - Anthraquinone - Aminobenzoic acid - Aminobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Aryl ketone - Benzoyl - Monocyclic benzene moiety - Primary aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Amino acid or derivatives - Amino acid - Ketone - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organosulfur compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic anion - 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