Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC1=CC(=C(F)C=C1)C(F)(F)F)C1=C(C2CCCC2)C2=CC=CC=C2S1
InChIKey
InChIKey=VDLOZVBEPGLGKT-UHFFFAOYSA-N
Formula
C29H25F4NO4S2
Mass
591.64
Taxonomic Classification
Taxonomy Tree
-
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
Trifluoromethylbenzenes Benzenesulfonamides 1-benzothiophenes Benzenesulfonyl compounds Benzoyl derivatives Fluorobenzenes Organosulfonamides Aryl fluorides Thiophenes Aminosulfonyl compounds Methyl esters Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzenesulfonamide - Benzoate ester - 1-benzothiophene - Benzenesulfonyl group - Benzothiophene - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Heteroaromatic compound - Sulfonyl - Thiophene - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organosulfur compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organohalogen 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