Compound Identification
SMILES
COC1=C(Cl)C=C(C=C1)C(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=BUQIYOWIOZQUOZ-UHFFFAOYSA-N
Formula
C18H12ClNO6S
Mass
405.81
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
1-benzothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds 2,3,5-trisubstituted thiophenes Anisoles Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzothiophene - 1-benzothiophene - Anisole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - Methoxybenzene - 2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organic zwitterion - 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