Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.ClC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=CC=C2S1
InChIKey
InChIKey=XKTHDBNSTXSZNW-UHFFFAOYSA-N
Formula
C34H34ClNO9S
Mass
668.15
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
3-aroylthiophenes Tricarboxylic acids and derivatives 1-benzothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Piperidines Alpha hydroxy acids and derivatives Aryl chlorides Tertiary alcohols Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Not available
Substituents
Aryl-phenylketone - 3-aroylthiophene - Benzothiophene - Tricarboxylic acid or derivatives - 1-benzothiophene - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - Phenoxy compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Piperidine - Alpha-hydroxy acid - Thiophene - Heteroaromatic compound - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Organochloride - Organohalogen compound - Organic oxide - 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