Compound Identification
SMILES
OCC(O)COC(=O)C1=C(I)C(I)=C(C(=O)OCC(O)CO)C(I)=C1I
InChIKey
InChIKey=KWZFYUBVDKXQHJ-UHFFFAOYSA-N
Formula
C14H14I4O8
Mass
817.876
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 p-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
p-Phthalate esters
Alternative Parents
P-phthalic acid and derivatives 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Iodobenzenes Glycerolipids Dicarboxylic acids and derivatives Aryl iodides Vinylogous halides Carboxylic acid esters Secondary alcohols Organic oxides Hydrocarbon derivatives Primary alcohols Organoiodides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Glycerolipid - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Dicarboxylic acid or derivatives - Vinylogous halide - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organoiodide - Organooxygen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
External Descriptors
Not available