Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC(C(CC(=O)OCC#C)C(=O)OCC#C)C(=O)OCC#C
InChIKey
InChIKey=MSCDLBKKYSRLHU-UHFFFAOYSA-N
Formula
C22H20O9S
Mass
460.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
-
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 Tricarboxylic acids and derivatives Benzenesulfonyl compounds Arylsulfonic acids and derivatives Fatty acid esters Organosulfonic acid esters Monosaccharides Sulfonyls Carboxylic acid esters Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Tricarboxylic acid or derivatives - Fatty acid ester - Toluene - Monosaccharide - Organosulfonic acid ester - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Acetylide - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic homomonocyclic 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