Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC1SC(C)(C)SC1C(O)=O
InChIKey
InChIKey=DKYLNDHJRMQACU-UHFFFAOYSA-N
Formula
C14H18O5S3
Mass
362.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives 1,3-dithiolane-4-carboxylic acids Dithioketals Organosulfonic acid esters Sulfonyls 1,3-dithiolanes Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Dithiolanecarboxylic acid - 1,3-dithiolanecarboxylic acid - 1,3-dithiolane-4-carboxylic acid - Dithioketal - Toluene - Organosulfonic acid ester - Thioacetal - Dithiolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - 1,3-dithiolane - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Thioether - Organoheterocyclic compound - Dialkylthioether - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available