Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COC(=O)C1=CC=C(C=C1)S(=O)(=O)N[C@H](COC1=CC=CC(=C1)C(N)=N)CC1=CC=C(OC2CCNCC2)C=C1
InChIKey
InChIKey=NMLUUFLMRMUHIJ-IFUPQEAVSA-N
Formula
C33H36F6N4O10S
Mass
794.72
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
Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Piperidines Organosulfonamides Alpha-halocarboxylic acids Methyl esters Aminosulfonyl compounds Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Carboximidamides Carboxamidines Organic oxides Organofluorides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds
Molecular Framework
Not available
Substituents
Amphetamine or derivatives - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Piperidine - Organosulfonic acid amide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Methyl ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Amidine - Carboximidamide - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Carboxylic acid amidine - Amine - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Alkyl halide - Organonitrogen compound - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Organosulfur 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