Compound Identification
SMILES
CC1(C)CC(OC2=CC=CC=C12)C(=O)NCOC(=O)C1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=VZAGXLDFTREZIB-UHFFFAOYSA-N
Formula
C21H21NO6
Mass
383.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Phthalic acid and derivatives
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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 Benzoic acid esters 1-benzopyrans Benzoic acids Benzoyl derivatives Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Benzoic acid - Benzoyl - Alkyl aryl ether - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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