Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(CCSCCOC1=CC=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=CNHYCIIGYSJJMM-UHFFFAOYSA-N
Formula
C19H21ClO5S2
Mass
428.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Tosyl compounds
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Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Tosyl compounds
Alternative Parents
Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Thia fatty acids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Sulfones Sulfenyl compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Thia fatty acid - Fatty acyl - Aryl chloride - Aryl halide - Sulfonyl - Sulfone - Sulfenyl compound - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Ether - Thioether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
External Descriptors
Not available