Compound Identification
SMILES
COC1=C(NC2=CC(=C(N)C3=C2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C=C(C=C1)S(=O)(=O)CCO
InChIKey
InChIKey=DJOIECWJTNHXBB-UHFFFAOYSA-N
Formula
C23H20N2O9S2
Mass
532.54
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 Aminophenyl ethers Benzenesulfonyl compounds Methoxyanilines Anisoles Aryl ketones Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Primary aromatic amines Sulfones Organosulfonic acids Vinylogous amides Secondary amines Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aminophenyl ether - Methoxyaniline - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Aryl ketone - Aniline or substituted anilines - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Primary aromatic amine - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Sulfone - Ketone - Secondary amine - Ether - Organonitrogen compound - Primary alcohol - Organic nitrogen compound - Primary amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organosulfur 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