Compound Identification
SMILES
CCOC(=S)SC(CCC(=O)C1=CC=C(Cl)C=C1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC
InChIKey
InChIKey=RPIRFGXUUOTBFQ-BMSWRWNDSA-N
Formula
C21H27ClO6S2
Mass
475.01
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
Butyrophenones Aryl alkyl ketones Benzoyl derivatives Ketals Chlorobenzenes Monosaccharides Aryl chlorides Oxolanes 1,3-dioxolanes Monothioacetals Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Aldehydes Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Ketal - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Monothioacetal - Meta-dioxolane - Oxolane - Acetal - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Sulfenyl compound - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organochloride - Organosulfur compound - Organic oxide - 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