Compound Identification
SMILES
CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(OCCOP(O)(O)=O)=C1)C(=O)OCCCCCCCCCCCCCCCC
InChIKey
InChIKey=HTWMCLGYFFPBAU-UHFFFAOYSA-N
Formula
C42H75O9P
Mass
755.027
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
-
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 Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Monoalkyl phosphates Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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