Compound Identification
SMILES
CCOC(=O)CC1=C(SC(SCC2=CC=CC=C2CSC2=C(C(CC(=O)OCC)=C(S2)C(=O)C2=CC=C(Br)C=C2)[N+]2=CC=C(C)C=C2)=C1[N+]1=CC=C(C)C=C1)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=XLLXBXYHNAKHPS-UHFFFAOYSA-N
Formula
C50H44Br2N2O6S4
Mass
1056.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
Thiophene carboxylic acids and derivatives Benzoyl derivatives Alkylarylthioethers Methylpyridines Bromobenzenes Pyridinium derivatives Aryl bromides Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organobromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Thiophene carboxylic acid or derivatives - Aryl thioether - Benzoyl - Halobenzene - Alkylarylthioether - Bromobenzene - Methylpyridine - Pyridine - Pyridinium - Benzenoid - Dicarboxylic acid or derivatives - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organosulfur compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available