Compound Identification
SMILES
O=C(COC(=O)C1=CC=C(C=C1)S(=O)(=O)N1CCCC1)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=ABHOEERVHXYZPD-UHFFFAOYSA-N
Formula
C21H21NO7S
Mass
431.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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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
Benzenesulfonamides Benzo-1,4-dioxanes Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Para dioxins Organosulfonamides Sulfonyls Pyrrolidines Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonamide - Benzo-1,4-dioxane - Benzodioxane - Benzoate ester - Benzenesulfonyl group - Benzoyl - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Para-dioxin - Organosulfonic acid amide - Sulfonyl - Pyrrolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Ketone - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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