Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1=NN2C(=O)C(SC2=N1)=CC1=CC=C(O1)C1=CC=C(C=C1)C(C)=O
InChIKey
InChIKey=HDJQXNPOSHQLLC-UHFFFAOYSA-N
Formula
C26H21N3O6S
Mass
503.53
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 Alkyl-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
Alkyl-phenylketones
Alternative Parents
Phenyl-1,2,4-triazoles Acetophenones Triazolothiazoles Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Thiazoles Heteroaromatic compounds Furans Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Acetophenone - Phenoxy compound - Anisole - Phenol ether - Triazolothiazole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Furan - Heteroaromatic compound - 1,2,4-triazole - Triazole - Thiazole - Lactam - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Aldehyde - Organopnictogen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available