Compound Identification
SMILES
CC1=C(NC2=CC(=C(N)C3=C2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C=C(C=C1N)S(O)(=O)=O
InChIKey
InChIKey=QESOMBMPKAMMLJ-UHFFFAOYSA-N
Formula
C21H17N3O8S2
Mass
503.5
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
p-Methylbenzenesulfonates Diaminotoluenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Aniline and substituted anilines Primary aromatic amines Vinylogous amides Sulfonyls Organosulfonic acids Secondary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,10-anthraquinone - Anthraquinone - P-methylbenzenesulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Diaminotoluene - 1-sulfo,2-unsubstituted aromatic compound - Aminotoluene - Aniline or substituted anilines - Aryl ketone - Toluene - Monocyclic benzene moiety - Primary aromatic amine - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Secondary amine - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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