Compound Identification
SMILES
FC(F)(F)C(OC(=O)C1=CC=CC(C(=O)OC(C#N)(C(F)(F)F)C(F)(F)F)=C1SC1=CC=CC=C1)(C#N)C(F)(F)F
InChIKey
InChIKey=QECVXTHUZXRLOL-UHFFFAOYSA-N
Formula
C22H8F12N2O4S
Mass
624.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
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Level 6
Phthalate esters
- Level 7 m-Phthalate esters
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Level 6
Phthalate esters
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Level 5
Phthalic acid and derivatives
-
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
Phthalic acid and derivatives - Phthalate esters
Direct Parent
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives Diarylthioethers O-sulfanylbenzoic acids and derivatives Benzoic acid esters Thiophenol ethers Benzoyl derivatives Vinylogous thioesters Carboxylic acid esters Sulfenyl compounds Nitriles Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Diarylthioether - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Vinylogous thioester - Carboxylic acid ester - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl fluoride - Organic oxygen compound - Organosulfur compound - Organic oxide - Cyanide - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
External Descriptors
Not available