Compound Identification
SMILES
COC(=O)C1=CC(=CC(=C1)N(C(C)C1=NC2=CC=CC=C2C(=O)N1CC1=CC=CC=C1)C(=O)NC1=CC(Cl)=C(Cl)C=C1)C(=O)OC
InChIKey
InChIKey=WHBLZROTVMJQQB-UHFFFAOYSA-N
Formula
C34H28Cl2N4O6
Mass
659.52
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 Benzoic acid esters Quinazolines N-phenylureas Benzoyl derivatives Dichlorobenzenes Pyrimidones Aryl chlorides Dicarboxylic acids and derivatives Heteroaromatic compounds Methyl esters Lactams Ureas Azacyclic compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Diazanaphthalene - Benzoate ester - N-phenylurea - Quinazoline - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Pyrimidine - Heteroaromatic compound - Methyl ester - Lactam - Carboxylic acid ester - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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