Compound Identification
SMILES
COC1=C(CN(C)C2=C(Cl)C(F)=NC(F)=N2)C(=C(NC2=CC(=C(N)C3=C2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C=C1)S(O)(=O)=O
InChIKey
InChIKey=JJECGQNZODGWIN-UHFFFAOYSA-N
Formula
C27H20ClF2N5O9S2
Mass
696.05
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
Benzenesulfonic acids and derivatives Methoxyanilines Benzenesulfonyl compounds Aminophenyl ethers 1-sulfo,2-unsubstituted aromatic compounds Phenoxy compounds Methoxybenzenes Dialkylarylamines Benzylamines Aryl ketones Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers 2-halopyrimidines Imidolactams Aryl fluorides Aryl chlorides Vinylogous amides Sulfonyls Organosulfonic acids Heteroaromatic compounds Secondary amines Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthraquinone - 9,10-anthraquinone - Benzenesulfonate - Aminophenyl ether - Benzenesulfonyl group - Methoxyaniline - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Aryl ketone - Phenol ether - Benzylamine - Anisole - 2-halopyrimidine - Halopyrimidine - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - 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