Compound Identification
SMILES
COC(=O)C(=C=C(C)C)[S@](=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=LKTDVTDYSDVFLU-GOSISDBHSA-N
Formula
C13H13ClO3S
Mass
284.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenyl sulfoxides
- Level 5 1,2-allenyl phenyl sulfoxides
-
Subclass
Phenyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
1,2-allenyl phenyl sulfoxides
Alternative Parents
Fatty acid esters Chlorobenzenes Aryl chlorides Methyl esters Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1,2-allenyl phenyl sulfoxide - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Fatty acyl - Methyl ester - Carboxylic acid ester - Sulfoxide - Monocarboxylic acid or derivatives - Sulfinyl compound - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2-allenyl phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group and a 1,2-allenyl group.
External Descriptors
Not available