Compound Identification
SMILES
CC1=CC(C(=O)COC(=O)C2=CC(=C(F)C=C2)S(=O)(=O)N2CCOCC2)=C(C)N1CC=C
InChIKey
InChIKey=NTJYMWWRPAJFCI-UHFFFAOYSA-N
Formula
C22H25FN2O6S
Mass
464.51
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
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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 4-halobenzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Substituted pyrroles Morpholines Aryl fluorides Organosulfonamides Heteroaromatic compounds Vinylogous amides Sulfonyls Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Aryl ketone - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Substituted pyrrole - Organosulfonic acid amide - Vinylogous amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Heteroaromatic compound - Sulfonyl - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Organohalogen compound - Organofluoride - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic 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