Compound Identification
SMILES
CO[C@H]1OC[C@@H]2OC(=O)S[C@@H]2[C@H]1OS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=NBKHMFWCKAPHPR-RNJOBUHISA-N
Formula
C14H16O7S2
Mass
360.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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 Arylsulfonic acids and derivatives Benzenesulfonyl compounds Oxanes Organosulfonic acid esters Monosaccharides Sulfonyls Oxathiolanes Monothioacetals Organic thiocarbonic acid derivatives Acetals Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Monosaccharide - Oxane - Organosulfonic acid ester - Monothioacetal - Oxathiolane - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiocarbonic acid derivative - Oxacycle - Acetal - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic 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