Compound Identification
SMILES
CCOC(=O)CC1=C(SC(SCC2=CC3=CC=CC=C3C=C2)=C1[N+]1=CC=CC=C1)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=ZDRNCINRZXVXPE-UHFFFAOYSA-N
Formula
C31H25BrNO3S2
Mass
603.57
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
Naphthalenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Alkylarylthioethers Bromobenzenes Pyridinium derivatives Aryl bromides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - Naphthalene - Benzoyl - Aryl thioether - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic 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