Compound Identification
SMILES
CCOC(=O)C(C)(CC1=CC=C(Cl)C=C1)SC1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=WZKIKVXBZPMTLY-UHFFFAOYSA-N
Formula
C21H25ClO2S
Mass
376.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Thiophenol ethers Fatty acid esters Chlorobenzenes Alkylarylthioethers Aryl chlorides Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cumene - Phenylpropane - Aryl thioether - Thiophenol ether - Alkylarylthioether - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available