Compound Identification
SMILES
CCC.COC.CC(C)(C)C.CS(C)(=O)=O.CC(C)(C(F)(F)F)C(F)(F)F.C=CCOCC(COCC=C)(COCC=C)COC(=O)C1=CC=C(C=C1)C(=O)OCC(COCC=C)(COCC=C)COC(=O)C1=CC=C(C=C1)C(=O)OCC(COCC=C)(COCC=C)COCC=C
InChIKey
InChIKey=ICXZUGWZYHWHHV-UHFFFAOYSA-N
Formula
C72H110F6O19S
Mass
1425.7
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
-
Level 6
Phthalate esters
-
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 Benzoic acid esters Benzoyl derivatives Sulfones Carboxylic acid esters Dialkyl ethers Organofluorides Organic oxides Hydrofluorocarbons Hydrocarbon derivatives Alkyl fluorides Saturated hydrocarbons
Molecular Framework
Not available
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoyl - Sulfone - Sulfonyl - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrofluorocarbon - Organic oxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Hydrocarbon - Saturated hydrocarbon - 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