Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=CC(C(O)=O)=C(O)C=C1
InChIKey
InChIKey=SUIZGJQUGIKGRX-UHFFFAOYSA-N
Formula
C14H12O6S
Mass
308.3
Taxonomic Classification
Taxonomy Tree
-
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 Salicylic acids Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzoic acids Phenoxy compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Vinylogous acids Sulfonyls Carboxylic acids Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid - Phenoxy compound - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Organosulfonic acid ester - Vinylogous acid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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