Compound Identification
SMILES
CS(=O)(=O)OC1C(COC(=O)C2=CC=CC=C2)OC2C1OC1=NC(=O)C=CN21
InChIKey
InChIKey=CFTIULAQLRHLFJ-UHFFFAOYSA-N
Formula
C17H16N2O8S
Mass
408.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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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
Benzoyl derivatives Pyrimidones Alkyl aryl ethers Sulfonic acid esters Organosulfonic acid esters Monosaccharides Vinylogous amides Tetrahydrofurans Sulfonyls Methanesulfonates Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - Pyrimidone - Alkyl aryl ether - Organosulfonic acid ester - Sulfonic acid ester - Pyrimidine - Monosaccharide - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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