Compound Identification
SMILES
COC(=O)CC(C(=O)CSC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C1=CC=CC=C1)C(=O)OC
InChIKey
InChIKey=YMHKJZFTMARNGG-UHFFFAOYSA-N
Formula
C21H22O9S3
Mass
514.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzenesulfonyl compounds
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonyl compounds
Alternative Parents
Gamma-keto acids and derivatives Fatty acid methyl esters Beta-keto acids and derivatives Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Sulfones Methyl esters Ketones Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonyl group - Gamma-keto acid - Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Keto acid - Methyl ester - Sulfonyl - Sulfone - Carboxylic acid ester - Ketone - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
External Descriptors
Not available