Compound Identification
SMILES
CC12CCCC3=COC(=C13)C(=O)C1=C2C=C2C(=O)C3=C(NCCS3(=O)=O)C(=O)C2=C1
InChIKey
InChIKey=KJMXEMKLXNMFIG-UHFFFAOYSA-N
Formula
C22H17NO6S
Mass
423.44
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
Phenanthrenes and derivatives Naphthofurans Naphthalenes Quinones Aryl ketones 1,4-thiazines Vinylogous amides Sulfones Furans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkylamines Enamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthraquinone - 1,4-anthraquinone - Phenanthrene - Naphthofuran - Naphthalene - Quinone - Aryl ketone - Para-thiazine - Furan - Heteroaromatic compound - Sulfone - Vinylogous amide - Ketone - Secondary amine - Oxacycle - Enamine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic 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