Compound Identification
SMILES
O=C(OC1C2OC(CCO2)C1COC(=O)C1=CC=CC=C1)SOC1=CC=CC=C1
InChIKey
InChIKey=SWZOLZKAVOTJOB-UHFFFAOYSA-N
Formula
C21H20O7S
Mass
416.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Phenoxy compounds Benzoyl derivatives Oxepanes 1,3-dioxanes Oxolanes Organic thioperoxides Organic thiocarbonic acid derivatives Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Phenoxy compound - Benzoyl - Oxepane - Meta-dioxane - Oxolane - Organic thioperoxide - Thiocarbonic acid derivative - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available