Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2
InChIKey
InChIKey=CUASTFNIBNFIKJ-UHFFFAOYSA-N
Formula
C34H35NO11S
Mass
665.71
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 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Piperidines Alpha hydroxy acids and derivatives Tertiary alcohols Heteroaromatic compounds Trialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Aryl-phenylketone - 3-aroylthiophene - 1-benzothiophene - Benzothiophene - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Thiophene carboxylic acid or derivatives - Benzoyl - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Hydroxy acid - Alpha-hydroxy acid - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - 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