Compound Identification
SMILES
CCOC(=O)CCN(C1CC1)C1=C(C(=O)OCC)C(F)=C(C(=O)OCC)C(F)=C1F
InChIKey
InChIKey=QQDCYBDLSJPSQR-UHFFFAOYSA-N
Formula
C20H24F3NO6
Mass
431.408
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
-
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
-
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 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Dialkylarylamines Aniline and substituted anilines Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Vinylogous amides Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organofluorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Aminobenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Vinylogous amide - Vinylogous halide - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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